SCHEMBL2492428

SCHEMBL2492428

[CH2]c1cccc(-c2ccccc2OCCC)c1-c1ccccc1OCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
HTR7 P34969 2/20 0.41
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP19A1 P11511 1/20 0.39
ADRB2 P07550 1/20 0.39
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
PDE2A O00408 1/20 0.38
PDE6D O43924 1/20 0.38
USP2 O75604 1/20 0.38
PDE9A O76083 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2491478 0.92 CYP1A2 (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2491572 0.87 ALDH1A1 (0.43) PDE5AKDM4EALDH1A1MAPTHPGD
SCHEMBL2494385 0.86 HTR7 (0.45) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10438816 0.82 HTR7 (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1835625 0.82 PDE5A (0.42) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL815746 0.79 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19MCHR1KDM4E
SCHEMBL2489513 0.78 CYP1A2 (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2027108 0.78 APP (0.50) HTR7KDM4EMEN1USP2ALDH1A1
SCHEMBL1837903 0.74 CYP1A2 (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2253647 0.74 CHRM2 (0.49) CYP1A2CYP2C9CYP2C19MCHR1KDM4E

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-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2015-11-19 US disclosed
EP-2845587-A2 Melanin production inhibitor Pola Chemical Industries Inc. (JP) 2015-03-11 EP disclosed
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2014-12-11 US disclosed
US-8846012-B2 Melanin production inhibitor POLA CHEMICAL INDUSTRIES INC. (JP) 2014-09-30 US disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US 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 (3 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-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH PDE5A 1953/4885PDE4A 3692/4885PDE4B 3369/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 PDE5A 2061/4885PDE4A 3742/4885PDE4B 3383/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R PDE5A 2070/4885PDE4A 3692/4885PDE4B 3329/4885

“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.