SCHEMBL17447209

SCHEMBL17447209

COc1cc(CBr)cc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 4/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.34
FASN P49327 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3397035 0.89 CA2 (0.43) CA2PTGS2CYP3A4ALDH1A1HTR2A
SCHEMBL12560288 0.83 PTGS2 (0.59) CA2PTGS2CYP3A4ALDH1A1HTR2A
SCHEMBL14211118 0.81 TRPA1 (0.35) ALDH1A1TSHR
SCHEMBL14870346 0.81 TTR (0.42) CA2PTGS2CYP3A4ALDH1A1HTR2A
SCHEMBL19628275 0.81 HSD17B10 (0.41) CA2PTGS2CYP3A4ALDH1A1MEN1
SCHEMBL14134254 0.81 CA2 (0.42) CA2PTGS2CYP3A4ALDH1A1HTR2A
SCHEMBL26782437 0.79 ALDH1A1 (0.47) CA2PTGS2CYP3A4ALDH1A1HTR2A
SCHEMBL6886145 0.78 CA2 (0.35) CA2PTGS2CYP3A4ALDH1A1HTR2A
SCHEMBL15150156 0.78 MEN1 (0.40) CA2PTGS2CYP3A4ALDH1A1MEN1
SCHEMBL4159800 0.77 CRHBP (0.50) CA2ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 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 (1 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B CA2 530/4885PTGS2 585/4885CYP3A4 1770/4885

“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.