SCHEMBL13715544

SCHEMBL13715544

CCC[C@H](CC(=O)OC)c1ccc(OCc2ccccc2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.48
FFAR1 O14842 2/20 0.44
MRGPRX4 Q96LA9 5/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F10 P00742 3/20 0.42
F2 P00734 2/20 0.42
SMPD1 P17405 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 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
SCHEMBL3880726 0.90 FFAR4 (0.54) FFAR4FFAR1MRGPRX4SMN1; SMN2RXRA
SCHEMBL13715363 0.88 SMPD1 (0.43) NPC1HPGDRAB9ASMN1; SMN2F10
SCHEMBL5703422 0.79 FFAR4 (0.54) FFAR4FFAR1KEAP1NFE2L2
SCHEMBL6262057 0.78 FFAR4 (0.51) FFAR4FFAR1MRGPRX4NPC1HPGD
SCHEMBL3870672 0.77 SMN1; SMN2 (0.44) FFAR4FFAR1NPC1HPGDRAB9A
SCHEMBL13715399 0.77 F2 (0.41) RAB9AF10F2PRSS1
SCHEMBL27323723 0.76 ALDH1A1 (0.55) HPGDF10F2PRSS1
SCHEMBL27875654 0.74 FFAR4 (0.58) FFAR4FFAR1MRGPRX4SMN1; SMN2RXRA
SCHEMBL23832233 0.74 FFAR4 (0.65) FFAR4FFAR1MRGPRX4SMPD1HDAC1
SCHEMBL30154474 0.74 FFAR4 (0.65) FFAR4FFAR1MRGPRX4SMPD1HDAC1

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-7572934-B2 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-08-11 US disclosed
US-7572934-B2 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-08-11 US disclosed
US-20090111859-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-04-30 US disclosed
US-20090111859-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-04-30 US disclosed
WO-2008130514-A1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS AMGEN INC. (US) 2008-10-30 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-20090111859-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 FFAR4 19/4885FFAR1 18/4885MRGPRX4 119/4885

“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.