SCHEMBL3898640

SCHEMBL3898640

CC(C)C(F)(F)c1ccc(CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
KIF11 P52732 4/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MLYCD O95822 1/20 0.34
TRPA1 O75762 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
PTPN1 P18031 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
VHL P40337 1/20 0.32
ELOC Q15369 1/20 0.32
ELOB Q15370 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL13957679 0.81 TSHR (0.38) KIF11ALDH1A1TSHRTAAR1L3MBTL1
SCHEMBL3905629 0.79 ALDH1A1 (0.36) ALDH1A1TSHRTAAR1CA1CA2
SCHEMBL17878581 0.78 TAAR1 (0.39) KIF11ALDH1A1TAAR1CA2L3MBTL1
SCHEMBL8197503 0.77 RXRA (0.50) EPHX2ALDH1A1TSHRCA2
SCHEMBL17878577 0.76 MAOB (0.38) KIF11ALDH1A1TSHRTAAR1L3MBTL1
SCHEMBL9000580 0.76 CNR2 (0.38) PTPN1L3MBTL1
SCHEMBL1742369 0.76 EPHX2 (0.44) EPHX2KIF11TSHRNOS3NOS1
SCHEMBL17775056 0.75 EPHX2 (0.41) EPHX2KIF11TSHRNOS3NOS1
SCHEMBL96239 0.75 TAAR1 (0.54) KIF11ALDH1A1TAAR1
SCHEMBL29010024 0.73 HSD17B10 (0.54) ALDH1A1TSHRPPARGPPARAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 EPHX2 1297/4885KIF11 3302/4885ALDH1A1 1730/4885

“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.