SCHEMBL2490782

SCHEMBL2490782

Cc1ccccc1-c1cccc(CNCCO)c1-c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 14/20 0.47
PDCD1 Q15116 6/20 0.47
SCN8A Q9UQD0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.45
PDCD1LG2 Q9BQ51 4/20 0.44
VSIR Q9H7M9 2/20 0.42

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
SCHEMBL2491886 0.91 SCN8A (0.50) CD274PDCD1SCN8AALDH1A1CHRM2
SCHEMBL2492086 0.83 CHRM2 (0.41) CD274SCN8AALDH1A1CHRM2PDCD1LG2
SCHEMBL5221050 0.80 CHRM2 (0.67) CD274PDCD1SCN8AALDH1A1CHRM2
SCHEMBL2491973 0.79 MPO (0.44) CD274PDCD1ALDH1A1VSIR
SCHEMBL2488729 0.78 KDM4E (0.55) CD274PDCD1ALDH1A1CHRM2
SCHEMBL20962611 0.74 ALDH1A1 (0.59) ALDH1A1CHRM2
SCHEMBL2491945 0.73 FFAR1 (0.36) CD274PDCD1SCN8AALDH1A1
SCHEMBL11624233 0.72 HEXA (0.36) CD274PDCD1
SCHEMBL2494414 0.71 MPO (0.47) CD274PDCD1SCN8AALDH1A1
SCHEMBL2491496 0.71 SCN8A (0.36) CD274PDCD1SCN8AALDH1A1

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 CD274 3091/4885PDCD1 3586/4885SCN8A 2532/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CD274 2885/4885PDCD1 3433/4885SCN8A 2710/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CD274 2825/4885PDCD1 3271/4885SCN8A 2739/4885

“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.