SCHEMBL6724121

SCHEMBL6724121

COc1c(Cl)cc(B(O)O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
ENPP2 Q13822 4/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TTR P02766 2/20 0.41
TPMT P51580 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.38
TAS1R1 Q7RTX1 3/20 0.38
TAS1R2 Q8TE23 3/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35

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
SCHEMBL16654430 0.88 ALDH1A1 (0.47) ALDH1A1ENPP2CA1CA2TTR
SCHEMBL29951539 0.88 ENPP2 (0.38) ALDH1A1KDM4EGAAENPP2CA1
SCHEMBL29956803 0.77 HTT (0.44) ALDH1A1KDM4EGAAENPP2TTR
SCHEMBL16654413 0.77 POLB (0.47) ALDH1A1KDM4EGAAENPP2HPGD
SCHEMBL28825759 0.75 ENPP2 (0.41) ALDH1A1KDM4EGAAENPP2CA1
SCHEMBL529061 0.75 MEN1 (0.45) ENPP2CA1CA2HSD17B10KMT2A
SCHEMBL11447 0.74 ENPP2 (0.43) ALDH1A1ENPP2CA1CA2TAS1R3
SCHEMBL24433 0.74 CYP3A4 (0.56) ALDH1A1KDM4EGAAENPP2CA1
SCHEMBL23391626 0.74 TTR (0.46) ENPP2TTRTDP1
SCHEMBL29957013 0.74 KMT2A (0.42) ALDH1A1KDM4EGAACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20200369665-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR Ryvu Therapeutics S.A. (PL) 2020-11-26 US disclosed
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME UNIV ILLINOIS (US) 2020-10-22 US disclosed
US-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-07-07 US disclosed
EP-3645536-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR Ryvu Therapeutics S.A. (PL) 2020-05-06 EP disclosed
CN-110809577-A Modulators of adenosine A2A receptor 雷沃医疗有限公司 2020-02-18 CN disclosed
WO-2019002606-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR SELVITA S.A. (PL) 2019-01-03 WO disclosed
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-01-03 US disclosed
EP-3400071-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME The Board of Trustees of the University of Illinois (US) 2018-11-14 EP disclosed
US-9884839-B2 Inhibitors of 17Beta-hydroxysteroid dehydrogenases type 1 and type 2 ELEXOPHARM GMBH (DE) 2018-02-06 US disclosed
EP-2718264-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
WO-2013109388-A2 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-25 WO disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 US disclosed
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2004-08-12 US disclosed
US-6677488-B2 AS AN EXAMPLE, 4-(4,5-DIFLUORO-2-(3-CHLORO-4-FLUOROPHENYL) PHENYLBENZENESULFONAMIDE; ANTIARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; PROSTAGLANDIN INHIBITORS; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 2004-01-13 US disclosed
US-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation G.D. SEARLE & CO. (US) 2002-11-14 US disclosed
EP-0794942-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-31 EP disclosed
EP-0794942-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-09-17 EP disclosed
WO-1996016934-A1 SUBSTITUTED BIPHENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-06-06 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-20020169206-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 ALDH1A1 241/4885KDM4E 2550/4885GAA 3646/4885
US-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same GPER1, ESRRG, ESR2 ALDH1A1 2046/4885KDM4E 3002/4885GAA 1873/4885
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME GPER1, ESRRG, ESR2 ALDH1A1 2074/4885KDM4E 3349/4885GAA 1947/4885
US-20040158074-A1 Substituted biphenyl compounds for the treatment of inflammation AHR, ARNT, GPBAR1 ALDH1A1 241/4885KDM4E 2550/4885GAA 3646/4885
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME GPER1, ESRRG, ESR2 ALDH1A1 2074/4885KDM4E 3349/4885GAA 1947/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 ALDH1A1 26/4885KDM4E 1628/4885GAA 276/4885
US-20200369665-A1 IMIDAZO[1,2-A]PYRAZINE MODULATORS OF THE ADENOSINE A2A RECEPTOR ADORA2A, ADORA1, ADORA3 ALDH1A1 591/4885KDM4E 4607/4885GAA 4390/4885

“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.