SCHEMBL23295

SCHEMBL23295

COC(=O)COc1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.53
ALDH1A1 P00352 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 1/20 0.48
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.44
PPARD Q03181 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2116437 0.86 PTGS2 (0.66) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL1444267 0.81 GAA (0.61) ALDH1A1MAPTPOLBLMNAGAA
SCHEMBL2446705 0.81 MAPT (0.47) ALDH1A1CYP2C9CYP2C19MAPTMEN1
SCHEMBL10434827 0.81 MAPT (0.44) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL3167492 0.80 PSEN1 (0.45) ALDH1A1CYP2C9CYP2C19MAPTPOLB
SCHEMBL3170416 0.80 MAPT (0.48) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL544051 0.80 ALOX15 (0.63) PTGS2ALDH1A1MAPTPOLBMEN1
SCHEMBL3169853 0.80 ALOX15 (0.42) ALDH1A1CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL17365269 0.80 PTGS2 (0.60) PTGS2ALDH1A1CYP2C9CYP2C19MAPT
SCHEMBL12061812 0.80 GAA (0.66) PTGS2ALDH1A1CYP2C9CYP2C19MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234546-A GPX4 inhibitors, pharmaceutical compositions thereof and their use in the treatment of GPX4 mediated diseases 嘉兴优博生物技术有限公司 2023-06-06 CN claimed
WO-2021183702-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-09-16 WO claimed
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP claimed
EP-2915186-B1 FORMULATIONS OF SOLUTIONS AND PROCESSES FOR FORMING A SUBSTRATE INCLUDING AN ARSENIC DOPANT VERSUM MAT US LLC (US) 2020-10-28 EP claimed
US-9006266-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US claimed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US claimed
US-7371747-B2 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-05-13 US claimed
EP-1446115-B1 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP claimed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US claimed
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 WO claimed
US-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA LTD. (CA) 2005-01-20 US claimed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO claimed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 US claimed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP claimed
EP-1446115-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-08-18 EP claimed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US claimed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 WO claimed
WO-2003041649-A2 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-05-22 WO claimed
EP-0239874-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their application HOECHST AKTIENGESELLSCHAFT (DE) 1987-10-07 EP claimed
EP-0230242-A2 Substituted derivatives of 4-amino-3-hydroxy-butyric acid, process for their production, medicines containing them, and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-29 EP claimed

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

For each of this compound's patents that has machine-readable text (3 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-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 PTGS2 686/4885ALDH1A1 3687/4885CYP2C9 3763/4885
US-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors CTSB, CTSK, CTSS PTGS2 2511/4885ALDH1A1 3183/4885CYP2C9 2016/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR PTGS2 437/4885ALDH1A1 2801/4885CYP2C9 1982/4885

“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.