SCHEMBL17378857

SCHEMBL17378857

CC(CC(C)(C)[Si](C)(C)O)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FPR2 P25090 1/20 0.33
PYCR1 P32322 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
HTR2A P28223 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
SLC6A2 P23975 1/20 0.30

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
SCHEMBL17371681 0.80 TSHR (0.33) ALDH1A1CYP3A4HPGDHSD17B10SMN1; SMN2
SCHEMBL18056395 0.80 LPL (0.35)
SCHEMBL28429831 0.77 RIPK1 (0.39) CYP1A2ALOX5ALDH1A1CYP3A4CYP2D6
SCHEMBL8168459 0.75 RIPK1 (0.46) CYP1A2ALOX5ALDH1A1CYP3A4CYP2D6
SCHEMBL13808437 0.75 RIPK1 (0.46) CYP1A2ALOX5ALDH1A1CYP3A4CYP2D6
SCHEMBL18801218 0.74 NR1I2 (0.36) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL13951190 0.74 NR1I2 (0.36) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL13951253 0.74 NR1I2 (0.36) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL13808433 0.72 ALOX5 (0.34) CYP1A2ALOX5ALDH1A1CYP3A4CYP2D6
SCHEMBL881459 0.71 ESR1 (0.42) ALDH1A1LMNAHTR2AESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815828-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-14 US disclosed
US-20170114055-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. 2017-04-27 US disclosed
US-9447046-B2 Histone demethylase inhibitors Celegene Quanticel Research, Inc. (US) 2016-09-20 US disclosed
WO-2016135151-A1 PHOTO-CROSSLINKABLE EMISSIVE MOLECULAR MATERIALS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2016-09-01 WO disclosed
US-20160107995-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 US disclosed
US-9242968-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2016-01-26 US disclosed
WO-2015200709-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2015-12-30 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 (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-20160107995-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM6A, KDM1A CYP1A2 2906/4885ALOX5 1989/4885ALDH1A1 475/4885
US-20170114055-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM6A, KDM1A CYP1A2 2906/4885ALOX5 1989/4885ALDH1A1 475/4885

“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.