SCHEMBL2490791

SCHEMBL2490791

Oc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)N2CCNCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.39
ESR1 P03372 6/20 0.37
ESR2 Q92731 6/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
TYR P14679 1/20 0.37
AR P10275 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
ESRRG P62508 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRD1 P41143 1/20 0.34
P4HB P07237 1/20 0.33
KIF11 P52732 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33

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
SCHEMBL2489523 0.81 ESR1 (0.41) ESR1ESR2HPGDCYP3A4LMNA
SCHEMBL2488565 0.80 ADRB1 (0.52) HTR5AHPGDCYP3A4TSHRHTR6
SCHEMBL2492360 0.79 ALDH1A1 (0.44) ESR1ESR2HPGDCYP3A4LMNA
SCHEMBL569963 0.79 SIGMAR1 (0.48) HTR5AHPGDLMNATSHRHTR6
SCHEMBL9090858 0.78 SIGMAR1 (0.47) HTR5AHPGDLMNATSHRHTR6
SCHEMBL8411629 0.78 SIGMAR1 (0.47) HTR5AHPGDLMNATSHRHTR6
SCHEMBL2494068 0.76 HTR3A (0.56) HTR6ADRB1
SCHEMBL2495637 0.74 ESR1 (0.53) ESR1ESR2HPGDCYP3A4LMNA
SCHEMBL27544718 0.73 ESR1 (0.52) ESR1ESR2HPGDCYP3A4LMNA
Succinic Acid SCHEMBL19644019 0.72 SIGMAR1 (0.44) CYP3A4TSHRHSD17B10OPRD1CHRM2

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 HTR5A 1798/4885ESR1 3775/4885ESR2 3511/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 HTR5A 1584/4885ESR1 3785/4885ESR2 3465/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R HTR5A 1639/4885ESR1 3626/4885ESR2 3449/4885

“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.