SCHEMBL4860922

SCHEMBL4860922

CCOc1ccccc1CCOS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.56
MAPT P10636 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 3/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 4/20 0.41
ATM Q13315 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
PLEC Q15149 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6617663 0.91 L3MBTL1 (0.53) L3MBTL1MAPTNPSR1KDM4EALOX15
SCHEMBL5657713 0.89 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1KDM4EALDH1A1
SCHEMBL3171854 0.83 TAAR1 (0.41) L3MBTL1MAPTNPSR1KDM4EALOX15
SCHEMBL3593144 0.83 CA12 (0.54) KDM4EHTTPOLB
SCHEMBL5660413 0.83 HTR1A (0.59) L3MBTL1MAPTGAATDP1MAPK1
SCHEMBL5658385 0.83 CA1 (0.49)
Alcohol SCHEMBL11040577 0.83 CA12 (0.50) KDM4EHTTPOLB
SCHEMBL1960375 0.82 KDM4E (0.46) L3MBTL1MAPTNPSR1KDM4EALOX15
SCHEMBL24041895 0.82 HTR1A (0.46)
SCHEMBL2345631 0.81 L3MBTL1 (0.61) L3MBTL1MAPTNPSR1KDM4EHTT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969007-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-05-08 EP disclosed
US-10273222-B2 Histone demethylase inhibitors CELGENE QUANTSCEL RESEARCH, INC. (US) 2019-04-30 US disclosed
US-9963441-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-08 US disclosed
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-23 US disclosed
US-9701657-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-07-11 US disclosed
US-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE PHARMACEUTICALS INC (US) 2017-03-09 US disclosed
US-9527829-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2016-12-27 US disclosed
US-20160122314-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-05-05 US disclosed
US-20160113914-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 US disclosed
EP-2969007-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 EP disclosed
US-9133166-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-09-15 US disclosed
WO-2014151945-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 WO disclosed
US-20140275084-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-18 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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 (9 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-10273222-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM3B L3MBTL1 972/4885MAPT 2724/4885NPSR1 4769/4885
US-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B L3MBTL1 972/4885MAPT 2724/4885NPSR1 4769/4885
US-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 L3MBTL1 2659/4885MAPT 1965/4885NPSR1 577/4885
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B L3MBTL1 972/4885MAPT 2724/4885NPSR1 4769/4885
US-20140275084-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B L3MBTL1 972/4885MAPT 2724/4885NPSR1 4769/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 L3MBTL1 2659/4885MAPT 1965/4885NPSR1 577/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE L3MBTL1 2341/4885MAPT 1584/4885NPSR1 1430/4885
US-20160122314-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B L3MBTL1 972/4885MAPT 2724/4885NPSR1 4769/4885
US-20160113914-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B L3MBTL1 972/4885MAPT 2724/4885NPSR1 4769/4885

“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.