SCHEMBL16033232

SCHEMBL16033232

CC(C)COc1ccccc1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR8 Q9NR97 1/20 0.42
ADRB2 P07550 7/20 0.42
ADRB1 P08588 7/20 0.42
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.40
HTR1A P08908 1/20 0.40
ADRB3 P13945 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
BDKRB2 P30411 1/20 0.40

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
SCHEMBL10701443 0.84 L3MBTL1 (0.56) HTR2CALDH1A1MAPTATMTLR8
SCHEMBL12394754 0.84 GABRA1 (0.45) HTR2CALDH1A1GAAMAPTTHRB
SCHEMBL5249905 0.83 CACNA1G (0.40) HTR2CALDH1A1GAAMAPTTHRB
SCHEMBL4334443 0.83 ALDH1A1 (0.55) HTR2CALDH1A1GAAMAPTMEN1
SCHEMBL8048270 0.82 HTR2C (0.42) HTR2CALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2355180 0.82 ADRB2 (0.44) HTR2CMEN1KMT2AADRB2ADRB1
SCHEMBL14009301 0.82 HTR2C (0.49) HTR2CALDH1A1GAAMAPTTHRB
SCHEMBL6417638 0.82 ADRB2 (0.42) HTR2CALDH1A1GAAMAPTTHRB
SCHEMBL27540813 0.81 IDO1 (0.43) HTR2CALDH1A1GAATLR8ADRB2
SCHEMBL13676818 0.81 ADRB2 (0.47) HTR2CMAPTADRB2ADRB1HTR1A

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 14 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
EP-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 HTR2C 3706/4885ALDH1A1 367/4885GAA 1340/4885
US-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B HTR2C 3706/4885ALDH1A1 367/4885GAA 1340/4885
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B HTR2C 3706/4885ALDH1A1 367/4885GAA 1340/4885
US-20140275084-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B HTR2C 3706/4885ALDH1A1 367/4885GAA 1340/4885
US-20160122314-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B HTR2C 3706/4885ALDH1A1 367/4885GAA 1340/4885
US-20160113914-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B HTR2C 3706/4885ALDH1A1 367/4885GAA 1340/4885

“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.