SCHEMBL503291

SCHEMBL503291

COc1ccc(C2(C(=O)O)CCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.65
MEN1 O00255 1/20 0.65
TSHR P16473 1/20 0.65
AKR1C1 Q04828 1/20 0.61
TET3 O43151 1/20 0.61
FBXL19 Q6PCT2 1/20 0.61
CXXC5 Q7LFL8 1/20 0.61
TET1 Q8NFU7 1/20 0.61
KDM2B Q8NHM5 1/20 0.61
CXXC4 Q9H2H0 1/20 0.61
KDM2A Q9Y2K7 1/20 0.61
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 1/20 0.52
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL21874269 0.98 KMT2A (0.63) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL503877 0.98 KMT2A (0.63) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL3443266 0.96 KMT2A (0.61) KMT2AMEN1TSHRAKR1C1TET3
Formic Acid SCHEMBL27562726 0.94 KMT2A (0.59) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL301027 0.93 KMT2A (0.64) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL29262920 0.86 CYP2C19 (0.60) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL31001015 0.86 KMT2A (0.52) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL13692378 0.86 CYP3A4 (0.58) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL16058193 0.85 KMT2A (0.57) KMT2AMEN1TSHRAKR1C1TET3
SCHEMBL21874196 0.85 KMT2A (0.57) KMT2AMEN1TSHRAKR1C1TET3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-5663029-A DEVELOPMENT OF LATENT IMAGE, TRANSFERRING TO FORM RECORDING SHEETS, COATING A SUBSTRATE USING POLYMERS XEROX CORPORATION (US) 1997-09-02 US claimed
EP-0024172-B1 ANTITUMOR AND IMMUNOSUPPRESSIVE 4-CARBAMOYLIMIDAZOLIUM-5-OLATE DERIVATIVES, PHARMACEUTICAL COMPOSITION AND PRODUCTION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-05-11 EP claimed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO disclosed
US-6043284-A ACYL COENZYME A: CHOLESTEROL ACYLTRANSFERASE (ACAT) INHIBITORS GLAXO WELLCOME INC. (US) 2000-03-28 US disclosed
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed
US-5776951-A ANTICHOLESTEROL AGENT GLAXO WELLCOME INC. (US) 1998-07-07 US disclosed
US-5663029-A DEVELOPMENT OF LATENT IMAGE, TRANSFERRING TO FORM RECORDING SHEETS, COATING A SUBSTRATE USING POLYMERS XEROX CORPORATION (US) 1997-09-02 US disclosed
EP-0706508-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-17 EP disclosed
WO-1995001326-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-12 WO disclosed
US-4247597-A Electroscopic carrier particles having a carboxylic acid surface treatment PITNEY BOWES, INC. (US) 1981-01-27 US 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-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885TSHR 2748/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885TSHR 2748/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885TSHR 2748/4885

“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.