SCHEMBL1508157

SCHEMBL1508157

O=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
S1PR1 P21453 2/20 0.50
S1PR5 Q9H228 2/20 0.50
FFAR1 O14842 1/20 0.50
MAOB P27338 6/20 0.48
MAOA P21397 2/20 0.48
PTPN1 P18031 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PLAT P00750 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2A P28223 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL1508320 0.87 CYP2D6 (0.53) CYP2D6S1PR1S1PR5FFAR1MAOB
SCHEMBL4970192 0.84 MAOB (0.54) MAOBMAOAPOLBMAPT
SCHEMBL31395253 0.83 CYP2D6 (0.53) CYP2D6S1PR1S1PR5FFAR1MAOB
SCHEMBL13221277 0.83 PDGFRA (0.50) CYP2D6S1PR1S1PR5FFAR1MAOB
SCHEMBL14117266 0.82 MAOB (0.60) MAOBMAOAPTPN1NPC1CYP2C19
SCHEMBL366446 0.81 ALDH1A1 (0.55) CYP2D6FFAR1MAOBMAOAPTPN1
SCHEMBL742149 0.80 MAOB (0.56) MAOBMAOAPOLBMAPTNPC1
SCHEMBL17129591 0.80 RXRA (0.50) MAOBMAOAMRGPRX4POLBHRH3
SCHEMBL31556421 0.79 HSP90AA1 (0.46) MAPTALDH1A1CYP2C19HTR2AKCNH2
SCHEMBL31395176 0.79 MAOB (0.46) CYP2D6S1PR1S1PR5MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 CYP2D6 358/4885S1PR1 2542/4885S1PR5 3169/4885

“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.