SCHEMBL2489501

SCHEMBL2489501

OCCCOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.42
SLC6A1 P30531 2/20 0.41
KIF11 P52732 1/20 0.37
SLC6A11 P48066 1/20 0.36
RAB9A P51151 2/20 0.34
KCNN4 O15554 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP19A1 P11511 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL2493499 0.88 SLC6A1 (0.43) RORCSLC6A1KIF11SLC6A11RAB9A
SCHEMBL2492369 0.82 KIF11 (0.38) KIF11HRH4CYP3A4
SCHEMBL2491345 0.81 TK2 (0.38) KIF11SLC6A11RAB9ANPC1HRH4
SCHEMBL2490790 0.81 KIF11 (0.50) SLC6A1KIF11SLC6A11KCNN4ALDH1A1
SCHEMBL2489713 0.80 KIF11 (0.59) SLC6A1KIF11ALDH1A1HRH4CYP2C9
SCHEMBL2494966 0.78 SLC6A11 (0.43) SLC6A1SLC6A11ALDH1A1CYP3A4
SCHEMBL2492376 0.76 KIF11 (0.64) SLC6A1KIF11SLC6A11KCNN4ALDH1A1
SCHEMBL5967728 0.75 KIF11 (0.49) SLC6A1KIF11HRH4CYP2C9CYP2C19
SCHEMBL8868959 0.74 KIF11 (0.57) SLC6A1KIF11ALDH1A1HRH4CYP2C9
SCHEMBL914263 0.73 KIF11 (0.55) SLC6A1KIF11ALDH1A1HRH4CYP3A4

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 RORC 3411/4885SLC6A1 644/4885KIF11 4556/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 RORC 3417/4885SLC6A1 710/4885KIF11 4605/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R RORC 3259/4885SLC6A1 801/4885KIF11 4611/4885

“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.