SCHEMBL2494414

SCHEMBL2494414

OCCCNCc1cccc(-c2ccccc2F)c1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.47
SLC6A4 P31645 1/20 0.47
ACHE P22303 4/20 0.44
SCN8A Q9UQD0 1/20 0.43
CA12 O43570 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL2491973 0.91 MPO (0.44) MPOSLC6A4ACHEHPGDPDCD1
SCHEMBL2491886 0.80 SCN8A (0.50) MPOSLC6A4SCN8ACA12CA2
SCHEMBL2492756 0.77 CHRM2 (0.54) MPOACHESCN8ATSHRMEN1
SCHEMBL2493517 0.74 GBA1 (0.35) PDCD1CD274ALDH1A1
SCHEMBL16701643 0.71 MPO (0.64) MPOSLC6A4ACHESCN8ACA12
SCHEMBL2490782 0.71 CD274 (0.47) SCN8APDCD1CD274ALDH1A1
SCHEMBL2491941 0.71 CHRM3 (0.35) PDCD1CD274ALDH1A1
SCHEMBL25046557 0.70 MPO (0.58) MPOSLC6A4MEN1KMT2AHPGD
SCHEMBL27491064 0.70 TAAR1 (0.41) MPOSLC6A4CA2ALDH1A1
SCHEMBL5023181 0.70 CA12 (0.81) MPOSLC6A4CA12CA2CA9

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 MPO 65/4885SLC6A4 1710/4885ACHE 3093/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 MPO 117/4885SLC6A4 1431/4885ACHE 2968/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R MPO 100/4885SLC6A4 1496/4885ACHE 2992/4885

“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.