SCHEMBL2490790

SCHEMBL2490790

NCCCOC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.50
SLC6A1 P30531 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.35
KCNN4 O15554 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOB P27338 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
SLC6A11 P48066 1/20 0.33
HTR1B P28222 1/20 0.33
IDO1 P14902 1/20 0.32
AGXT P21549 1/20 0.32
SLC7A5 Q01650 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
SCHEMBL2492376 0.88 KIF11 (0.64) KIF11SLC6A1TAAR1LOXL2KCNN4
SCHEMBL2489501 0.81 RORC (0.42) KIF11SLC6A1KCNN4ALDH1A1SMN1; SMN2
SCHEMBL2489296 0.81 KIF11 (0.50) KIF11TAAR1HRH4SLC6A11
SCHEMBL2494600 0.80 KIF11 (0.77) KIF11SMN1; SMN2HRH4
SCHEMBL2493851 0.78 KIF11 (0.53) KIF11TAAR1MAOBSLC6A11
SCHEMBL2493499 0.76 SLC6A1 (0.43) KIF11SLC6A1KCNN4ALDH1A1SMN1; SMN2
SCHEMBL2489578 0.74 KIF11 (0.56) KIF11KCNN4HRH4
SCHEMBL8703547 0.73 KIF11 (0.71) KIF11HRH4
SCHEMBL20827845 0.73 KIF11 (0.63) KIF11SLC6A1SMN1; SMN2SLC6A11
SCHEMBL2490788 0.72 KIF11 (0.44) KIF11TAAR1KCNN4HTR1BIDO1

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 KIF11 4556/4885SLC6A1 644/4885TAAR1 225/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885SLC6A1 710/4885TAAR1 194/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885SLC6A1 801/4885TAAR1 225/4885

“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.