SCHEMBL4728041

SCHEMBL4728041

C[C@H](O)c1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.49
CYP2A6 P11509 2/20 0.48
CA2 P00918 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CYP19A1 P11511 3/20 0.44
MMP3 P08254 1/20 0.43
ENPP2 Q13822 1/20 0.43
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL320277 1.00 PGR (0.49) PGRCYP2A6CA2ALDH1A1CA12
SCHEMBL342986 1.00 PGR (0.49) PGRCYP2A6CA2ALDH1A1CA12
SCHEMBL8019149 0.94 MMP3 (0.54) PGRCYP2A6CA2ALDH1A1CA12
SCHEMBL15981026 0.88 PARP15 (0.50) PGRALDH1A1CYP19A1MMP3KDM4E
SCHEMBL2296391 0.82 CYP2A6 (0.44) CYP2A6CA2ALDH1A1CA12CA3
SCHEMBL25920912 0.82 CYP2A6 (0.44) CYP2A6CA2ALDH1A1CA12CA3
SCHEMBL17902413 0.82 CYP2A6 (0.44) CYP2A6CA2ALDH1A1CA12CA3
SCHEMBL15617720 0.82 CYP2A6 (0.44) CYP2A6CA2ALDH1A1CA12CA3
SCHEMBL7799578 0.80 CYP2A6 (0.52) CYP2A6CA2ALDH1A1CA12CA3
SCHEMBL13557870 0.80 CYP2A6 (0.52) CYP2A6CA2ALDH1A1CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260132147-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIV (US) 2026-05-14 US disclosed
US-12479857-B2 Bax inhibitors and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2025-11-25 US disclosed
US-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
US-20230391812-A1 RUTHENIUM COMPLEX, PRODUCTION METHOD OF THE COMPLEX, AND PRODUCTION METHOD OF OPTICALLY ACTIVE SECONDARY ALCOHOLS USING THE COMPLEX AS CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-12-07 US disclosed
EP-4230603-A1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAID COMPLEX, AND METHOD FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL USING SAID COMPLEX AS CATALYST Takasago International Corporation (JP) 2023-08-23 EP disclosed
EP-4230603-A1 RUTHENIUM COMPLEX, METHOD FOR PRODUCING SAID COMPLEX, AND METHOD FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL USING SAID COMPLEX AS CATALYST Takasago International Corporation (JP) 2023-08-23 EP disclosed
CN-116323522-A Ruthenium complex, process for producing the same, and process for producing optically active secondary alcohol using the same as catalyst 高砂香料工业株式会社 2023-06-23 CN disclosed
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 US disclosed
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
CN-101503729-A Enzymatic resolution method of dl 1-phenylethanol compounds UNIV ZHEJIANG (CN) 2009-08-12 CN disclosed
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2009-04-23 US disclosed
WO-2009005645-A1 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005646-A2 SUBSTITUTED PIPERAZINES AS CB1 ANTAGONISTS SCHERING CORPORATION (US) 2009-01-08 WO disclosed
WO-2008035187-A2 ALCOHOL DEHYDROGENASE FROM AGROMYCES SP. AND A METHOD OF PRODUCING A CHIRAL SECONDARY ALCOHOL USING SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2008-03-27 WO disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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 (7 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-20260132147-A1 BAX INHIBITORS AND USES THEREOF BAX, BCL2, BAK1 PGR 3100/4885CYP2A6 2666/4885CA2 173/4885
US-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 PGR 2114/4885CYP2A6 4000/4885CA2 4104/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 PGR 990/4885CYP2A6 515/4885CA2 3771/4885
US-20090105208-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 PGR 990/4885CYP2A6 515/4885CA2 3771/4885
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 PGR 3799/4885CYP2A6 4255/4885CA2 2862/4885
US-12479857-B2 Bax inhibitors and uses thereof BAX, TMBIM6, BCL2 PGR 3799/4885CYP2A6 4255/4885CA2 2862/4885
US-20230391812-A1 RUTHENIUM COMPLEX, PRODUCTION METHOD OF THE COMPLEX, AND PRODUCTION METHOD OF OPTICALLY ACTIVE SECONDARY ALCOHOLS USING THE COMPLEX AS CATALYST ADH5, ADH1A, ADH1C PGR 2393/4885CYP2A6 243/4885CA2 2433/4885

“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.