SCHEMBL4033998

SCHEMBL4033998

COC(=O)C1(OCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TACR1 P25103 1/20 0.42
TACR3 P29371 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ADAM17 P78536 3/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4966883 0.95 ALDH1A1 (0.41) ALDH1A1TACR1TACR3MEN1KMT2A
SCHEMBL1447732 0.87 CYP2D6 (0.44) ALDH1A1MEN1KMT2ACYP2D6CYP2C9
SCHEMBL26928457 0.84 CYP19A1 (0.44) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21612946 0.84 MAOB (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL4036434 0.82 KMT2A (0.46) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL4299022 0.82 YAP1 (0.48) TACR1MEN1KMT2ATSHR
SCHEMBL27627779 0.81 DDB1 (0.38) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL4038161 0.79 KMT2A (0.47) ALDH1A1MEN1KMT2ASLC1A3SLC1A2
SCHEMBL23066959 0.79 TSHR (0.49) ALDH1A1TACR1TACR3ADAM17NPC1
SCHEMBL7157038 0.79 CHRM2 (0.46) ALDH1A1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545662-B2 MK2 inhibitors and uses thereof XINTHERA, INC. (US) 2026-02-10 US disclosed
US-12527763-B2 Pyrrole amide compound and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2026-01-20 US disclosed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
US-20250011335-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS SUDO BIOSCIENCES LIMITED (GB) 2025-01-09 US disclosed
CN-119176794-A Heterocyclic compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-12-24 CN disclosed
US-12122785-B2 Substituted pyridines, pyridazines, pyrimidines, and 1,2,4-triazines as TYK2 inhibitors SUDO BIOSCIENCES LIMITED (GB) 2024-10-22 US disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
US-11987574-B2 MK2 inhibitors and uses thereof XINTHERA, INC. (US) 2024-05-21 US disclosed
US-20240124440-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2024-04-18 US disclosed
EP-4313970-A1 MK2 INHIBITORS AND USES THEREOF Xinthera, Inc. (US) 2024-02-07 EP disclosed
EP-1887003-A1 3-[4-HETEROCYCLYL -1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-02-13 EP disclosed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds COGAN DEREK 2007-06-21 US disclosed
US-7214802-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-05-08 US disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP disclosed
US-20060079519-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-13 US disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US disclosed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO 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 (9 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-11987574-B2 MK2 inhibitors and uses thereof MKNK2, ENPP2, MAPKAPK2 ALDH1A1 4145/4885TACR1 4809/4885TACR3 4100/4885
US-12122785-B2 Substituted pyridines, pyridazines, pyrimidines, and 1,2,4-triazines as TYK2 inhibitors TYK2, JAK1, PDXK ALDH1A1 3718/4885TACR1 4838/4885TACR3 4729/4885
US-20240124440-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4745/4885TACR1 4883/4885TACR3 4784/4885
US-20250011335-A1 SUBSTITUTED PYRIDINES, PYRIDAZINES, PYRIMIDINES, AND 1,2,4-TRIAZINES AS TYK2 INHIBITORS TYK2, PDXK, JAK1 ALDH1A1 4255/4885TACR1 4855/4885TACR3 4692/4885
US-12527763-B2 Pyrrole amide compound and use thereof NR3C2, AVPR2, MC2R ALDH1A1 2126/4885TACR1 88/4885TACR3 933/4885
US-20070142371-A1 Anti-Cytokine Heterocyclic Compounds TNF, IL6, IL1A ALDH1A1 278/4885TACR1 353/4885TACR3 2989/4885
US-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 ALDH1A1 345/4885TACR1 240/4885TACR3 950/4885
US-20060079519-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL1A ALDH1A1 278/4885TACR1 353/4885TACR3 2989/4885
US-12545662-B2 MK2 inhibitors and uses thereof NR3C2, NR2C2, AGTR2 ALDH1A1 3116/4885TACR1 944/4885TACR3 1733/4885

“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.