SCHEMBL2493499

SCHEMBL2493499

OCCOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.43
KIF11 P52732 1/20 0.39
SLC6A11 P48066 1/20 0.37
KCNN4 O15554 3/20 0.36
TNKS O95271 2/20 0.36
PARP1 P09874 2/20 0.36
TNKS2 Q9H2K2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 2/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RORC P51449 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
CYP19A1 P11511 1/20 0.33
NPC1 O15118 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL2489501 0.88 RORC (0.42) SLC6A1KIF11SLC6A11KCNN4SMN1; SMN2
SCHEMBL2494532 0.81 KIF11 (0.41) KIF11ALDH1A1RAB9ACYP3A4NPC1
SCHEMBL2492376 0.79 KIF11 (0.64) SLC6A1KIF11SLC6A11KCNN4SMN1; SMN2
SCHEMBL2490812 0.79 KIF11 (0.39) KIF11SLC6A11TNKSPARP1TNKS2
SCHEMBL2491921 0.78 KIF11 (0.63) SLC6A1KIF11ALDH1A1CYP2C9CYP2C19
SCHEMBL2491594 0.76 SLC6A11 (0.45) SLC6A1SLC6A11SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL2490790 0.76 KIF11 (0.50) SLC6A1KIF11SLC6A11KCNN4SMN1; SMN2
SCHEMBL12199493 0.73 KIF11 (0.52) KIF11ALDH1A1
SCHEMBL2490410 0.71 SLC6A11 (0.50) SLC6A1KIF11SLC6A11CYP3A4
SCHEMBL992028 0.71 SLC6A11 (0.50) SLC6A1KIF11SLC6A11CYP3A4

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 SLC6A1 644/4885KIF11 4556/4885SLC6A11 862/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 SLC6A1 710/4885KIF11 4605/4885SLC6A11 863/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R SLC6A1 801/4885KIF11 4611/4885SLC6A11 1010/4885

“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.