SCHEMBL561006

SCHEMBL561006

OCc1ccc(Cl)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.52
HSD17B10 Q99714 5/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HPGD P15428 5/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
HIF1A Q16665 4/20 0.52
ALOX15 P16050 4/20 0.52
HSP90AA1 P07900 3/20 0.52
ALOX12 P18054 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
IDO1 P14902 2/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 2/20 0.52
HSPA5 P11021 2/20 0.52
SLC22A1 O15245 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL51173 0.83 CYP3A4 (0.67) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL31515787 0.81 HIF1A (0.71) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL1904046 0.81 HIF1A (0.71) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL1154758 0.80 IDO1 (0.50) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL29493203 0.80 IDO1 (0.50) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL28534044 0.79 CYP3A4 (0.50) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL18551328 0.79 HSD17B10 (0.50) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL1005910 0.79 HSD17B10 (0.50) CYP3A4HSD17B10ALDH1A1TSHRTDP1
SCHEMBL134961 0.79 TP53 (0.41) CYP3A4ALDH1A1TSHRHPGDMEN1
SCHEMBL29825232 0.79 TP53 (0.41) CYP3A4ALDH1A1TSHRHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 EP disclosed
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 EP disclosed
US-10173996-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-10173996-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-20170275266-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-28 US disclosed
WO-2001017483-A1 TWO-CONSTITUENT ELASTOMER MATERIALS BASED ON ALKYL AZIRIDINE COMPRISING A CATALYST CONSTITUENT THAT CONTAINS A BORIC ACID COMPLEX 3M ESPE AG (DE) 2001-03-15 WO disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
CN-1247529-A Sulfonamide and carboxamide derivatives and drugs containing same as active ingredient ONO PHARMACEUTICAL CO (JP) 2000-03-15 CN disclosed
EP-0947500-A1 SULFONAMIDE AND CARBOXAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
CN-1174190-A Diaryl alkane derivatives containing alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO CO (JP) 1998-02-25 CN disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed
CN-1035434-C Herbicidal 2-[(4-heterocyclic-phenoxymethyl) phenoxy]-alkanoates FMC CORP (US) 1997-07-16 CN disclosed
US-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP 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-10173996-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM1A CYP3A4 1366/4885HSD17B10 1324/4885ALDH1A1 396/4885
US-20170275266-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A CYP3A4 1366/4885HSD17B10 1324/4885ALDH1A1 396/4885

“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.