SCHEMBL2494466

SCHEMBL2494466

CCNCc1cccc(-c2ccccc2OC)c1-c1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR7 P34969 1/20 0.53
HTR2B P41595 1/20 0.53
HTR5A P47898 1/20 0.53
HTR6 P50406 1/20 0.53
GAA P10253 1/20 0.46
CHRM2 P08172 13/20 0.45
BCHE P06276 5/20 0.45
ACHE P22303 5/20 0.45
CHRM4 P08173 5/20 0.45
CHRM5 P08912 5/20 0.45
CHRM1 P11229 5/20 0.45
CHRM3 P20309 5/20 0.45
GRIN1 Q05586 4/20 0.45
GRIN2A Q12879 4/20 0.45
RECQL P46063 2/20 0.45

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
SCHEMBL2488729 0.84 KDM4E (0.55) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL2492756 0.82 CHRM2 (0.54) CHRM2BCHEACHECHRM4CHRM5
SCHEMBL3130371 0.80 CHRM2 (0.66) GAACHRM2BCHEACHECHRM4
Hydrochloric Acid SCHEMBL29963746 0.79 CHRM2 (0.67) GAACHRM2BCHEACHECHRM4
SCHEMBL16268547 0.78 APP (0.46) HTR7GAACHRM2CHRM1RECQL
SCHEMBL2492086 0.76 CHRM2 (0.41) GAACHRM2BCHEACHEKDM4E
SCHEMBL31711441 0.76 KDM4E (0.60) HTR2AHTR2CGAABCHEKDM4E
SCHEMBL7980806 0.74 CHRM2 (0.54) GAACHRM2BCHEACHECHRM4
SCHEMBL3409413 0.74 HTR1A (0.46) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL2493434 0.74 HTR7 (0.58) HTR7KDM4EALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR1A 240/4885HTR1D 982/4885HTR1B 484/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 HTR1A 189/4885HTR1D 865/4885HTR1B 380/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R HTR1A 188/4885HTR1D 935/4885HTR1B 450/4885

“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.