SCHEMBL669872

SCHEMBL669872

O=Cc1ccc2c(c1)C=CCO2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2B6 P20813 1/20 0.43
STS P08842 1/20 0.39
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 5/20 0.37
CYP1B1 Q16678 4/20 0.37
PTGS2 P35354 2/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2A6 P11509 2/20 0.33
CYP1A1 P04798 4/20 0.32
ALDH1A3 P47895 2/20 0.32
ALDH3A1 P30838 1/20 0.32
KIF11 P52732 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL26927730 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1CYP2B6STS
SCHEMBL22863710 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1PTGS2KDM4E
SCHEMBL277261 0.76 CYP2B6 (0.46) CYP2B6STSCA1CA9CYP1A2
SCHEMBL6107110 0.72 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1PTGS2KDM4E
SCHEMBL6107109 0.72 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1PTGS2KDM4E
SCHEMBL2007996 0.72 CYP2B6 (0.42) CYP2B6STSCA1CA9CYP1A2
SCHEMBL18617980 0.72 CYP2B6 (0.42) CYP2B6STSCA1CA9CYP1A2
SCHEMBL1192912 0.72 CYP3A4 (0.45) ALDH1A1HSD17B10TDP1CYP2B6STS
SCHEMBL3199320 0.72 AHR (0.45) ALDH1A1CYP2B6STSCA1CA9
SCHEMBL4550984 0.72 CYP2B6 (0.46) CYP2B6STSCA1CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5608085-A Synthesis of optically active calanolides A and B and enantiomers and related compounds THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1997-03-04 US claimed
WO-1996026934-A1 SYNTHESIS OF OPTICALLY ACTIVE CALANOLIDES A AND B AND ENANTIOMERS AND RELATED COMPOUNDS THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1996-09-06 WO claimed
WO-2024080780-A1 NOVEL INDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 고려대학교 산학협력단 2024-04-18 WO disclosed
US-11420978-B2 Method for synthesizing 3-phenyl-2,8-dihydropyrano [2,3-f] chromene derivative Glaceum Inc. 2022-08-23 US disclosed
US-20210040106-A1 METHOD FOR SYNTHESIZING 3-PHENYL-2,8-DIHYDROPYRANO [2,3-F] CHROMENE DERIVATIVE Glaceum Inc. (KR) 2021-02-11 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
CN-103079558-A IRE-1 alpha inhibitors MANNKIND CORP 2013-05-01 CN disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
US-7968568-B2 [1-(4-chloro-3-ethoxy-benzyl)-piperidin-4-yl]-(2-chloro-pyrimidin-4-yl)-amine; somatostatin receptor subtype 5 (SSTR5) antagonists; diabetes mellitus HOFFMANN-LA ROCHE INC. (US) 2011-06-28 US disclosed
EP-2044054-B1 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
CN-1802366-B C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC 2010-12-22 CN disclosed
US-20080045550-A1 Pyrimidine and quinazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US disclosed
US-RE39199-E1 Antipsoriatic compositions, method of making, and method of using MOADY NASEBA 2006-07-18 US disclosed
CN-1802366-A C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC (JP) 2006-07-12 CN disclosed
US-5608085-A Synthesis of optically active calanolides A and B and enantiomers and related compounds THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1997-03-04 US disclosed
WO-1996026934-A1 SYNTHESIS OF OPTICALLY ACTIVE CALANOLIDES A AND B AND ENANTIOMERS AND RELATED COMPOUNDS THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1996-09-06 WO disclosed
EP-0207605-B1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1990-02-07 EP disclosed
US-4703052-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-10-27 US disclosed
EP-0207605-A1 Hypoglycemic thiazolidinediones PFIZER INC. (US) 1987-01-07 EP disclosed
WO-1986007056-A1 HYPOGLYCEMIC THIAZOLIDINEDIONES PFIZER INC. (US) 1986-12-04 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 (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-11420978-B2 Method for synthesizing 3-phenyl-2,8-dihydropyrano [2,3-f] chromene derivative HPD, CYP2J2, PAH ALDH1A1 777/4885HSD17B10 319/4885TDP1 1977/4885
US-20080045550-A1 Pyrimidine and quinazoline derivatives SSTR5, SSTR3, NPY5R ALDH1A1 2667/4885HSD17B10 4409/4885TDP1 1454/4885
US-20210040106-A1 METHOD FOR SYNTHESIZING 3-PHENYL-2,8-DIHYDROPYRANO [2,3-F] CHROMENE DERIVATIVE HPD, CYP2J2, PAH ALDH1A1 777/4885HSD17B10 319/4885TDP1 1977/4885

“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.