SCHEMBL433987

SCHEMBL433987

COC(=O)CCc1ccc(OCc2cccc(C(=NO)c3ccccc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.53
FFAR4 Q5NUL3 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MRGPRX4 Q96LA9 3/20 0.52
TP53 P04637 2/20 0.52
PKM P14618 2/20 0.52
NFKB1 P19838 2/20 0.52
RAB9A P51151 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
RXFP1 Q9HBX9 1/20 0.52
AKR1B1 P15121 1/20 0.52
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL15239494 1.00 FFAR1 (0.53) FFAR1FFAR4SMN1; SMN2MRGPRX4TP53
SCHEMBL15239169 1.00 FFAR1 (0.53) FFAR1FFAR4SMN1; SMN2MRGPRX4TP53
SCHEMBL435228 0.86 FFAR1 (0.57) FFAR1FFAR4SMN1; SMN2MRGPRX4TP53
SCHEMBL1745739 0.84 FFAR1 (0.55) FFAR1FFAR4SMN1; SMN2MRGPRX4TP53
SCHEMBL1745339 0.84 FFAR1 (0.62) FFAR1FFAR4AKR1B1
SCHEMBL433106 0.83 ESRRB (0.46) FFAR1FFAR4SMN1; SMN2MRGPRX4TP53
SCHEMBL433105 0.83 ESRRB (0.46) FFAR1FFAR4SMN1; SMN2MRGPRX4TP53
SCHEMBL15248881 0.83 ESRRB (0.46) FFAR1FFAR4SMN1; SMN2MRGPRX4TP53
SCHEMBL1745369 0.83 FFAR1 (0.76) FFAR1FFAR4AKR1B1
SCHEMBL1745247 0.82 FFAR1 (0.72) FFAR1FFAR4SMN1; SMN2RAB9AAKR1B1

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-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 FFAR1 24/4885FFAR4 26/4885SMN1; SMN2 2796/4885

“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.