SCHEMBL2494068

SCHEMBL2494068

COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)N2CCNCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.56
ADRB1 P08588 3/20 0.56
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56
SIGMAR1 Q99720 1/20 0.56
HTR1A P08908 6/20 0.45
HTR7 P34969 2/20 0.45
HTR1B P28222 2/20 0.43
HTR1D P28221 1/20 0.43
HTR2B P41595 1/20 0.42
HTR6 P50406 1/20 0.42
HTR2C P28335 1/20 0.41
KMT2A Q03164 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2489250 0.83 SMN1; SMN2 (0.46) KMT2ACA12CA1CA2CA7
SCHEMBL2492321 0.81 HPGD (0.47) KMT2ACA12CA1CA2CA7
SCHEMBL2488565 0.79 ADRB1 (0.52) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL12199483 0.76 ACHE (0.50) KMT2A
SCHEMBL12225851 0.76 ACHE (0.50) KMT2A
SCHEMBL12209773 0.76 CYP2B6 (0.51) SIGMAR1KMT2A
SCHEMBL2490819 0.76 CYP2B6 (0.51) SIGMAR1KMT2A
SCHEMBL2490791 0.76 HTR5A (0.39) ADRB1HTR6
SCHEMBL569963 0.75 SIGMAR1 (0.48) HTR3AADRB1HTR3EHTR3BHTR3D
SCHEMBL9090858 0.73 SIGMAR1 (0.47) HTR3AADRB1HTR3EHTR3BHTR3D

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 HTR3A 268/4885ADRB1 587/4885HTR3E 507/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 HTR3A 177/4885ADRB1 452/4885HTR3E 366/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R HTR3A 217/4885ADRB1 442/4885HTR3E 425/4885

“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.