SCHEMBL3914764

SCHEMBL3914764

COC(=O)CCc1ccc(OCc2cccc(N)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.54
FFAR4 Q5NUL3 6/20 0.53
AKR1B1 P15121 1/20 0.53
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL1745339 0.86 FFAR1 (0.62) FFAR1FFAR4AKR1B1
SCHEMBL1745141 0.85 FFAR1 (0.58) FFAR1FFAR4ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1067199 0.85 SIRT2 (0.54) FFAR1KDM4EALDH1A1LMNATHRA
SCHEMBL1745369 0.85 FFAR1 (0.76) FFAR1FFAR4AKR1B1
SCHEMBL1743642 0.85 FFAR1 (0.74) FFAR1FFAR4AKR1B1THRATHRB
SCHEMBL1745247 0.84 FFAR1 (0.72) FFAR1FFAR4AKR1B1NPC1RAB9A
SCHEMBL1747136 0.84 FFAR1 (0.72) FFAR1FFAR4AKR1B1NPC1RAB9A
SCHEMBL1745420 0.84 FFAR1 (0.60) FFAR1FFAR4AKR1B1
SCHEMBL1744991 0.84 FFAR1 (0.77) FFAR1FFAR4AKR1B1
Hydrochloric Acid SCHEMBL1788098 0.83 SIRT2 (0.53) FFAR1KDM4EALDH1A1LMNATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 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-20070155808-A1 Phenylpropanoic acid derivatives GPR119, GPR55, FFAR1 FFAR1 3/4885FFAR4 7/4885AKR1B1 638/4885

“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.