SCHEMBL1508320

SCHEMBL1508320

O=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
MAOB P27338 6/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
MAOA P21397 1/20 0.51
PTPN1 P18031 3/20 0.48
FFAR1 O14842 1/20 0.47
PLAT P00750 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
S1PR1 P21453 1/20 0.46
HTR2A P28223 1/20 0.46
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
S1PR5 Q9H228 1/20 0.46
MEN1 O00255 1/20 0.45
SLC26A4 O43511 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 1/20 0.45
MDH2 P40926 1/20 0.44

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
SCHEMBL1508157 0.87 CYP2D6 (0.50) CYP2D6MAOBMRGPRX4MAOAPTPN1
SCHEMBL31395253 0.87 CYP2D6 (0.53) CYP2D6MAOBMRGPRX4MAOAPTPN1
SCHEMBL13221277 0.87 PDGFRA (0.50) CYP2D6MAOBMRGPRX4MAOAPTPN1
SCHEMBL11118881 0.85 MRGPRX4 (0.59) CYP2D6MAOBMRGPRX4MAOAPTPN1
SCHEMBL14102978 0.85 NPC1 (0.61) MAOBFFAR1MEN1KMT2A
SCHEMBL366446 0.85 ALDH1A1 (0.55) CYP2D6MAOBMRGPRX4MAOAPTPN1
SCHEMBL190184 0.83 HPGD (0.58) MAOBMRGPRX4MAOAS1PR1S1PR5
SCHEMBL31395176 0.83 MAOB (0.46) CYP2D6MAOBMRGPRX4MAOAPTPN1
SCHEMBL3038004 0.81 RAB9A (0.63) MAOBMAOAPTPN1FFAR1PLAT
SCHEMBL9128904 0.81 RAB9A (0.55) MAOBMRGPRX4MAOAPTPN1HRH3

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 358/4885MAOB 904/4885MRGPRX4 1075/4885

“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.