SCHEMBL2625766

SCHEMBL2625766

COc1cc(C(C)(C)C)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP19A1 P11511 1/20 0.40
NR1I2 O75469 2/20 0.39
NR1H4 Q96RI1 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL19981713 0.88 KDM4E (0.36) KDM4ECA1CA2CA9KMT2A
SCHEMBL195044 0.84 KDM4E (0.53) KDM4ECA1CA2CA9KMT2A
SCHEMBL25477260 0.84 KDM4E (0.44) KDM4ECA1CA2CA9KMT2A
SCHEMBL14934286 0.83 CYP19A1 (0.45) CYP19A1NR1I2P2RX7
SCHEMBL179467 0.82 CA2 (0.50) CA1CA2CA9KMT2ATSHR
SCHEMBL29436012 0.82 CA2 (0.50) CA1CA2CA9KMT2ATSHR
SCHEMBL2669936 0.81 L3MBTL1 (0.45) KDM4EKMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL14560151 0.80 ACHE (0.41) TSHRALDH1A1SMN1; SMN2TDP1CYP19A1
SCHEMBL19504377 0.80 CNR2 (0.38) KDM4EKMT2AALDH1A1HSD17B10CYP19A1
SCHEMBL14560150 0.80 TUBB1 (0.40) ALDH1A1SMN1; SMN2CYP19A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865809-A Preparation method of musk with sunflower seeds 山东兴文工业技术研究院有限公司 2024-04-12 CN disclosed
US-11840527-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-12-12 US disclosed
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists EXSCIENTIA LTD. (GB) 2023-10-17 US disclosed
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists EXSCIENTIA LTD. (GB) 2023-10-17 US disclosed
US-20230288824-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-09-14 US disclosed
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 US disclosed
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2023-07-13 US disclosed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
US-11530205-B2 GLP-1 receptor modulators RECEPTOS LLC (US) 2022-12-20 US disclosed
US-20210371409-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2021-12-02 US disclosed
US-7718650-B2 Aryl sulfonamide compounds for treating obesity BIOVITRUM AB (SE) 2010-05-18 US disclosed
US-7605174-B2 Indane derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-20 US disclosed
US-7566715-B2 Substituted sulfonamide compounds useful for the prophylaxis and treatment of conditions relating to obesity, type II diabetes and/or disorders of the central nervous system BIOVITRUM AB (SE) 2009-07-28 US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080096873-A1 NEW COMPOUNDS BIOVITRUM AB, A SWEDEN CORPORATION 2008-04-24 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-7319097-B2 Treatment of type II diabetes with benzenesulfonamide substituted with an N-heterocycle: N-[2-amino-5-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide, N-[4-amino-5-(piperazinyl)phenyl]benzenesulfonamide, 3-amino-4-(5-methyl-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-N-phenyl-benzenesulfonamide hydrochloride BIOVITRUM AB (SE) 2008-01-15 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-7173035-B2 Arylsulfonamide compounds BIOVITRUM AB (SE) 2007-02-06 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 (11 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-20210371409-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, GCGR KDM4E 2596/4885CA1 4382/4885CA2 2828/4885
US-11786528-B2 Pyrazolopyrimidine compounds as adenosine receptor antagonists ADORA1, ADORA3, ADORA2A KDM4E 915/4885CA1 3334/4885CA2 897/4885
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 KDM4E 916/4885CA1 3596/4885CA2 3036/4885
US-11530205-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR KDM4E 2429/4885CA1 4143/4885CA2 2538/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 KDM4E 2958/4885CA1 1084/4885CA2 192/4885
US-20080096873-A1 NEW COMPOUNDS GPR119, SULT2A1, STS KDM4E 2346/4885CA1 3713/4885CA2 3077/4885
US-20230219942-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS CD274, PDCD1, PDCD1LG2 KDM4E 1531/4885CA1 4061/4885CA2 4593/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 KDM4E 4340/4885CA1 3378/4885CA2 2487/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 KDM4E 2206/4885CA1 3161/4885CA2 1773/4885
US-11840527-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH KDM4E 2484/4885CA1 4832/4885CA2 3530/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 KDM4E 2049/4885CA1 4704/4885CA2 4486/4885

“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.