SCHEMBL1931036

SCHEMBL1931036

CCC(CC)(Cc1ccc(Cl)c(N)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 4/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
CASP6 P55212 2/20 0.38
CYP1A2 P05177 2/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BLM P54132 2/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.38

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
SCHEMBL1930780 0.84 PPARA (0.48) PPARANPC1RAB9AKDM4EHPGD
SCHEMBL1932453 0.84 PPARA (0.48) PPARANPC1RAB9AKDM4EHPGD
SCHEMBL1932111 0.84 PPARA (0.48) PPARANPC1RAB9AKDM4EHPGD
SCHEMBL1932879 0.81 NPC1 (0.44) PPARANPC1RAB9AKDM4EHPGD
SCHEMBL9658100 0.79 BLM (0.44) PPARAKDM4EHPGDALDH1A1CYP3A4
SCHEMBL27368383 0.76 ALDH1A1 (0.39) PPARARAB9AKDM4EHPGDALDH1A1
SCHEMBL1932072 0.75 NPC1 (0.40) PPARANPC1RAB9AKDM4EHPGD
SCHEMBL1932074 0.74 KDM4E (0.40) NPC1RAB9AKDM4EHPGDALDH1A1
SCHEMBL1904138 0.73 NPC1 (0.39) PPARANPC1RAB9AKDM4EHPGD
SCHEMBL7055740 0.72 CA2 (0.59) KDM4EHPGDALDH1A1POLBMAPT

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-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 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-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH PPARA 5/4885NPC1 577/4885RAB9A 3852/4885

“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.