SCHEMBL2490781

SCHEMBL2490781

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 15/20 0.52
PDCD1 Q15116 9/20 0.52
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PDCD1LG2 Q9BQ51 5/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL2492867 0.92 CD274 (0.53) CD274PDCD1KDM4EL3MBTL1PDCD1LG2
SCHEMBL2490294 0.86 PDE4B (0.40) CD274PDCD1KDM4EPDCD1LG2KMT2A
SCHEMBL2495691 0.81 CD274 (0.52) CD274PDCD1PDCD1LG2
SCHEMBL2492139 0.79 CD274 (0.50) CD274PDCD1KDM4EL3MBTL1ALDH1A1
SCHEMBL2492245 0.78 SMN1; SMN2 (0.45) CD274PDCD1PDCD1LG2ALDH1A1
SCHEMBL2494551 0.76 PDE4B (0.42) CD274PDCD1KMT2AALDH1A1
SCHEMBL2491446 0.74 PDE4B (0.40) CD274PDCD1L3MBTL1
SCHEMBL5336055 0.73 PTGER1 (0.44) L3MBTL1ALDH1A1
SCHEMBL2495635 0.73 CD274 (0.53) CD274PDCD1KDM4EKMT2AALDH1A1
SCHEMBL25488857 0.73 KDM4E (0.62) KDM4EL3MBTL1KMT2ACYP1A2CYP2D6

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 3586/4885KDM4E 2772/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 CD274 2885/4885PDCD1 3433/4885KDM4E 3096/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R CD274 2825/4885PDCD1 3271/4885KDM4E 3125/4885

“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.