SCHEMBL45873

SCHEMBL45873

CCc1ccc(C(C)(C)C)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.34
YEATS4 O95619 1/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RIPK1 Q13546 1/20 0.32
MEN1 O00255 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15220324 0.89 KMT2A (0.38) MAPK1KMT2AALDH1A1HPGDYEATS4
SCHEMBL16440503 0.83 MAPK1 (0.37) MAPK1KMT2AALDH1A1YEATS4RAB9A
SCHEMBL18532092 0.82 KMT2A (0.34) MAPK1KMT2AALDH1A1HPGDYEATS4
SCHEMBL15220425 0.82 ALDH1A1 (0.40) MAPK1KMT2AALDH1A1HPGDMAPT
SCHEMBL20963121 0.82 ALDH1A1 (0.33) MAPK1KMT2AALDH1A1HPGDMAPT
SCHEMBL12233069 0.82 ALDH1A1 (0.33) MAPK1KMT2AALDH1A1HPGDMAPT
SCHEMBL11982808 0.82 ALDH1A1 (0.36) MAPK1KMT2AALDH1A1HPGDMAPT
SCHEMBL12648423 0.81 DAO (0.42) MAPK1KMT2AALDH1A1HPGDMAPT
SCHEMBL11892122 0.80 MAPT (0.41) MAPK1KMT2AALDH1A1HPGDYEATS4
SCHEMBL1522621 0.79 YEATS4 (0.37) MAPK1KMT2AYEATS4RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-05-16 US disclosed
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-11208527-B2 Photoactive macromolecules and uses thereof BECKMAN COULTER, INC. (US) 2021-12-28 US disclosed
US-10981905-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-04-20 US disclosed
WO-2020102098-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-10441659-B2 Lipids for therapeutic agent delivery formulations NITTO DENKO CORPORATION (JP) 2019-10-15 US disclosed
US-10364267-B2 Deuterated bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-07-30 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 US disclosed
US-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. 2009-04-23 US disclosed
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION ALLACCEM, INC. 2009-03-19 US disclosed
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. 2009-02-26 US disclosed
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. 2008-11-06 US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080221167-A1 for controlling insects and/or arachnids BAYER CROPSCIENCE AG (DE) 2008-09-11 US disclosed
US-20080221167-A1 for controlling insects and/or arachnids BAYER CROPSCIENCE AG (DE) 2008-09-11 US disclosed
US-20080167472-A1 TUNABLE PHENYLACETYLENE HOSTS STATE OF OREGON ACTING BY AND THROUGH THE STATE 2008-07-10 US disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans PAICS, KRTCAP2, OSTC MAPK1 4024/4885KMT2A 2271/4885ALDH1A1 2132/4885
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets PAICS, SLC16A8, CAD MAPK1 3573/4885KMT2A 855/4885ALDH1A1 653/4885
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF MAPK1 4517/4885KMT2A 4751/4885ALDH1A1 3152/4885
US-10364267-B2 Deuterated bile acid derivatives as FXR/TGR5 agonists and methods of use thereof NR1H4, GPBAR1, SLC10A1 MAPK1 2365/4885KMT2A 4041/4885ALDH1A1 2765/4885
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 MAPK1 1284/4885KMT2A 3598/4885ALDH1A1 3370/4885
US-11649218-B2 C-Abl tyrosine kinase inhibitory compound embodiments and methods of making and using the same ABL1, ABL2, MUSK MAPK1 428/4885KMT2A 232/4885ALDH1A1 1314/4885
US-10441659-B2 Lipids for therapeutic agent delivery formulations LIPA, SGMS2, SGMS1 MAPK1 4688/4885KMT2A 4227/4885ALDH1A1 3744/4885
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION BMP2, BMP1, BMP6 MAPK1 2825/4885KMT2A 1766/4885ALDH1A1 3387/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 MAPK1 2900/4885KMT2A 3734/4885ALDH1A1 2109/4885
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 MAPK1 280/4885KMT2A 1079/4885ALDH1A1 4191/4885
US-20080167472-A1 TUNABLE PHENYLACETYLENE HOSTS AADAC, PML, AHR MAPK1 4706/4885KMT2A 1805/4885ALDH1A1 1062/4885
US-20230025630-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPK1 1647/4885KMT2A 4441/4885ALDH1A1 1972/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF MAPK1 4517/4885KMT2A 4751/4885ALDH1A1 3152/4885
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 MAPK1 3843/4885KMT2A 2822/4885ALDH1A1 1058/4885
US-10981905-B2 Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents SCN1A, SCN2A, SCN2B MAPK1 3043/4885KMT2A 1375/4885ALDH1A1 2781/4885
US-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 MAPK1 1612/4885KMT2A 52/4885ALDH1A1 796/4885
US-20080221167-A1 for controlling insects and/or arachnids CRYAB, DDC, DDT MAPK1 4695/4885KMT2A 290/4885ALDH1A1 1536/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.