SCHEMBL21148979

SCHEMBL21148979

CC#C[C@@H](CC(=O)OCCC(C)C)c1ccc(OCCC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.55
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.49
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL29107450 1.00 FFAR1 (0.55) FFAR1GAAHTTMAPK1TP53
SCHEMBL21121221 0.91 FFAR1 (0.54) FFAR1GAAHTTMAPK1EPHX2
SCHEMBL21121220 0.91 FFAR1 (0.54) FFAR1GAAHTTMAPK1EPHX2
SCHEMBL21121327 0.88 FFAR1 (0.70) FFAR1
SCHEMBL21121329 0.88 FFAR1 (0.70) FFAR1
SCHEMBL22800011 0.88 FFAR1 (0.70) FFAR1
SCHEMBL21121487 0.84 FFAR1 (0.57) FFAR1MAPK1SMN1; SMN2
SCHEMBL21121488 0.84 FFAR1 (0.57) FFAR1MAPK1SMN1; SMN2
SCHEMBL22823950 0.82 GAA (0.58) GAAHTTMAPK1TP53SMN1; SMN2
SCHEMBL21121146 0.82 FFAR1 (0.55) FFAR1MAPK1TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964938-B2 3-phenyl-4-hexynoic acid derivatives as GPR40 agonists CELON PHARMA S.A. (PL) 2024-04-23 US disclosed
EP-3737470-B9 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS Celon Pharma Sa (PL) 2024-03-13 EP disclosed
CN-111757770-B 3-Phenyl-4-hexynoic acid derivatives as GPR40 agonists 赛隆制药股份公司 2023-10-03 CN disclosed
EP-3737470-B1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS Celon Pharma Sa (PL) 2022-12-14 EP disclosed
WO-2019134984-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS CELON PHARMA S.A. (PL) 2019-07-11 WO 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-11964938-B2 3-phenyl-4-hexynoic acid derivatives as GPR40 agonists GPR119, FFAR1, GPR65 FFAR1 2/4885GAA 3620/4885HTT 1573/4885

“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.