SCHEMBL17072158

SCHEMBL17072158

CCc1cc(CI)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX5 P09917 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HSD17B1 P14061 1/20 0.40
GAA P10253 1/20 0.40
PTGS2 P35354 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 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
SCHEMBL11950523 0.86 CA2 (0.48) CA2TAAR1PKMALOX15HSD17B1
SCHEMBL12806397 0.85 CA2 (0.44) CA2PKMALOX15GAAPTGS2
SCHEMBL20286678 0.84 CA2 (0.63) CA2TAAR1PKMALOX15GAA
SCHEMBL18264884 0.81 PKM (0.46) CA2TAAR1PKMALOX15GAA
SCHEMBL9886085 0.81 GABRA1 (0.55) TAAR1ALOX5GABRA1GABRB2ALDH1A1
SCHEMBL2278377 0.81 TAAR1 (0.52) CA2TAAR1PKMALOX15GAA
SCHEMBL16372569 0.80 DPP4 (0.44) CA2PKMALOX15GAAMEN1
SCHEMBL7632612 0.79 CA2 (0.68) CA2GAAALDH1A1KDM4EATM
SCHEMBL24021272 0.79 ALDH1A1 (0.49) CA2TAAR1PKMALOX15ALOX5
Hydrochloric Acid SCHEMBL6768219 0.79 TAAR1 (0.50) CA2TAAR1PKMALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505878-B2 Catalysts and methods for polymer synthesis NOVOMER, INC. (US) 2016-11-29 US disclosed
US-20150252145-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2015-09-10 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-20150252145-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS PPOX, COASY, SOD1 CA2 90/4885TAAR1 4366/4885PKM 1104/4885

“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.