SCHEMBL2490788

SCHEMBL2490788

NCCCOC(c1ccccc1F)(c1ccccc1F)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.44
HTR1B P28222 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KCNN4 O15554 4/20 0.35
IDO1 P14902 2/20 0.33
HRH1 P35367 1/20 0.33
PDK2 Q15119 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2489578 0.90 KIF11 (0.56) KIF11KCNN4
SCHEMBL2492372 0.89 KIF11 (0.57) KIF11HTR1BTAAR1KCNN4IDO1
SCHEMBL2489496 0.84 KIF11 (0.35) KIF11KCNN4PDK2L3MBTL1TDP1
SCHEMBL2489288 0.80 KIF11 (0.43) KIF11HTR1BTAAR1HRH1
SCHEMBL2493496 0.79 KIF11 (0.37) KIF11KCNN4IDO1L3MBTL1TDP1
SCHEMBL2492907 0.79 KIF11 (0.70) KIF11TAAR1KCNN4TDP1
SCHEMBL2493848 0.77 TAAR1 (0.43) KIF11HTR1BTAAR1IDO1L3MBTL1
SCHEMBL2492412 0.75 KIF11 (0.46) KIF11KCNN4
SCHEMBL2494600 0.75 KIF11 (0.77) KIF11
SCHEMBL2490790 0.72 KIF11 (0.50) KIF11HTR1BTAAR1KCNN4IDO1

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 4556/4885HTR1B 484/4885TAAR1 225/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885HTR1B 380/4885TAAR1 194/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885HTR1B 450/4885TAAR1 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.