SCHEMBL2492867

SCHEMBL2492867

COc1c(CNCCCO)ccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.53
PDCD1 Q15116 3/20 0.53
SCN8A Q9UQD0 1/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDCD1LG2 Q9BQ51 1/20 0.41
POLB P06746 1/20 0.41
CHRM2 P08172 8/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
TP53 P04637 1/20 0.40
CHRM4 P08173 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM5 P08912 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL2490781 0.92 CD274 (0.52) CD274PDCD1KDM4EALDH1A1TAAR1
SCHEMBL2490294 0.83 PDE4B (0.40) CD274PDCD1SCN8AKDM4EALDH1A1
SCHEMBL2495635 0.82 CD274 (0.53) CD274PDCD1SCN8AKDM4EALDH1A1
SCHEMBL2491892 0.80 CD274 (0.45) CD274PDCD1SCN8AKDM4EALDH1A1
SCHEMBL2491446 0.77 PDE4B (0.40) CD274PDCD1L3MBTL1
SCHEMBL2494551 0.74 PDE4B (0.42) CD274PDCD1ALDH1A1RECQL
SCHEMBL2495691 0.73 CD274 (0.52) CD274PDCD1PDCD1LG2
SCHEMBL5336055 0.71 PTGER1 (0.44) ALDH1A1L3MBTL1POLB
SCHEMBL2492139 0.71 CD274 (0.50) CD274PDCD1KDM4EALDH1A1TAAR1
SCHEMBL4255410 0.71 CHRM2 (0.76) POLBCHRM2GRIN1GRIN2ABCHE

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.