SCHEMBL16201780

SCHEMBL16201780

C=CCC(O)C(CCc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
ACE P12821 1/20 0.41
MAPT P10636 1/20 0.41
CNR2 P34972 1/20 0.41
TSHR P16473 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
DPP4 P27487 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
MME P08473 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ANPEP P15144 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 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
SCHEMBL16201771 0.89 CYP2C19 (0.46) CYP2C19ACEMAPTCNR2TSHR
SCHEMBL16201788 0.89 CYP2C19 (0.46) CYP2C19ACEMAPTCNR2TSHR
SCHEMBL16201777 0.84 CNR2 (0.46) CNR2TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL16201791 0.83 TRPA1 (0.41) PPARGPPARA
SCHEMBL16201820 0.83 TRPA1 (0.41) PPARGPPARA
SCHEMBL16201773 0.80 CYP2C19 (0.41) CYP2C19MAPTCNR2TSHRDPP4
SCHEMBL16201776 0.80 CYP2C19 (0.41) CYP2C19MAPTCNR2TSHRDPP4
SCHEMBL9748537 0.80 CYP2C19 (0.50) CYP2C19ANPEPERAP1ERAP2
SCHEMBL15004812 0.80 TRPA1 (0.41) PPARGPPARA
SCHEMBL16201793 0.80 TRPA1 (0.41) PPARGPPARA

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-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS Technische Universität München (DE) 2014-10-30 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-20140323457-A1 BETA-O/S/N FATTY ACID BASED COMPOUNDS AS ANTIBACTERIAL AND ANTIPROTOZOAL AGENTS FASN, DEGS1, EBP CYP2C19 2114/4885ACE 2281/4885MAPT 4451/4885

“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.