SCHEMBL3440709

SCHEMBL3440709

Oc1cccc(-c2ccccc2S)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 12/20 0.52
HSD17B2 P37059 10/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C9 P11712 2/20 0.52
CA12 O43570 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA2 P00918 1/20 0.44
LMNA P02545 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2B6 P20813 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAPDH P04406 1/20 0.44

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
SCHEMBL4779452 0.84 HSD17B1 (0.64) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL9739121 0.82 HSD17B1 (0.47) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL3680161 0.82 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL5050883 0.80 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL17051267 0.80 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL2186104 0.78 ALDH1A1 (0.62) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL31344495 0.78 ALDH1A1 (0.62) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL4651426 0.78 HSD17B1 (0.56) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL31344497 0.78 ALDH1A1 (0.62) HSD17B1HSD17B2CYP3A4CYP2C9CA12
SCHEMBL28639034 0.78 MEN1 (0.45) ALDH1A1LMNAESR1ALOX5

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234395-A Perovskite solar cell and preparation method thereof 宣城先进光伏技术有限公司 2023-06-06 CN claimed
CN-114478336-B Process for producing mercaptophenol compound and intermediate therefor 组合化学工业株式会社 2024-05-14 CN disclosed
CN-116234395-A Perovskite solar cell and preparation method thereof 宣城先进光伏技术有限公司 2023-06-06 CN disclosed
CN-113195909-B Charging roller and image forming apparatus 株式会社亚科迈 2023-06-02 CN disclosed
CN-113234186-A Preparation method of modified hydroxyl-terminated polybutadiene polymer 中国船舶重工集团公司第七二五研究所 2021-08-10 CN disclosed
US-7807713-B2 Pan-antagonists for the androgen receptor and androgen associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2010-10-05 US disclosed
US-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-29 US disclosed
US-7550505-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2009-06-23 US disclosed
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-13 US disclosed
WO-2008013791-A2 PAN-ANTAGONISTS FOR THE ANDROGEN RECEPTOR AND ANDROGEN RECEPTOR MUTANTS ASSOCIATED WITH ANTI-ANDROGEN WITHDRAWAL UNIVERSITY OF DELAWARE (US) 2008-01-31 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 (2 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-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG HSD17B1 24/4885HSD17B2 16/4885CYP3A4 2306/4885
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal AR, NR5A1, SHBG HSD17B1 24/4885HSD17B2 16/4885CYP3A4 2306/4885

“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.