SCHEMBL2493496

SCHEMBL2493496

OCCOC(c1ccccc1F)(c1ccccc1F)c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
KCNN4 O15554 5/20 0.36
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
IDO1 P14902 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2491322 0.90 KIF11 (0.49) KIF11ALDH1A1RECQLKCNN4KCNE1
SCHEMBL2489496 0.89 KIF11 (0.35) KIF11ALDH1A1RECQLKCNN4CTNNB1
SCHEMBL2492372 0.82 KIF11 (0.57) KIF11ALDH1A1KCNN4KCNE1KCNQ1
SCHEMBL2492412 0.80 KIF11 (0.46) KIF11KCNN4KCNE1KCNQ1HDAC6
SCHEMBL2490788 0.79 KIF11 (0.44) KIF11KCNN4IDO1L3MBTL1TDP1
SCHEMBL2494529 0.78 ALDH1A1 (0.43) KIF11ALDH1A1RECQLIDO1L3MBTL1
SCHEMBL2490811 0.77 ALDH1A1 (0.36) KIF11ALDH1A1RECQLCTNNB1WNT3A
SCHEMBL2491593 0.74 CA1 (0.41) ALDH1A1CTNNB1WNT3AL3MBTL1
SCHEMBL2492907 0.73 KIF11 (0.70) KIF11ALDH1A1KCNN4KCNE1KCNQ1
SCHEMBL2491921 0.71 KIF11 (0.63) KIF11ALDH1A1RECQLTDP1

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 4556/4885ALDH1A1 1292/4885RECQL 2613/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885ALDH1A1 1031/4885RECQL 2747/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885ALDH1A1 1187/4885RECQL 2738/4885

“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.