SCHEMBL2491322

SCHEMBL2491322

OCCOC(c1ccccc1)(c1ccccc1)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.49
KCNN4 O15554 5/20 0.42
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
HDAC6 Q9UBN7 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
PPARG P37231 1/20 0.32
CHRM3 P20309 1/20 0.32
SLC6A1 P30531 1/20 0.32
DUT P33316 2/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TBXA2R P21731 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
SCHEMBL2492412 0.90 KIF11 (0.46) KIF11KCNN4KCNE1KCNQ1CYP2C9
SCHEMBL2493496 0.90 KIF11 (0.37) KIF11KCNN4KCNE1KCNQ1ALDH1A1
SCHEMBL2492907 0.85 KIF11 (0.70) KIF11KCNN4KCNE1KCNQ1CYP2C9
SCHEMBL2489578 0.82 KIF11 (0.56) KIF11KCNN4KCNE1KCNQ1CYP2C9
SCHEMBL2491921 0.82 KIF11 (0.63) KIF11CYP2C9ALOX15TSHRCYP2C19
SCHEMBL2491938 0.81 KIF11 (0.46) KIF11CYP2C9ALOX15TSHRCYP2C19
SCHEMBL5230542 0.80 KCNN4 (0.44) KIF11KCNN4CYP2C9ALOX15TSHR
SCHEMBL2491620 0.80 KIF11 (0.44) KIF11CYP2C9ALOX15TSHRCYP2C19
SCHEMBL2489496 0.79 KIF11 (0.35) KIF11KCNN4KCNE1KCNQ1CYP2C9
SCHEMBL2494552 0.78 KIF11 (0.42) KIF11TSHRALDH1A1RECQLSLC6A1

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 4556/4885KCNN4 2642/4885KCNE1 2767/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 KIF11 4605/4885KCNN4 2867/4885KCNE1 2922/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R KIF11 4611/4885KCNN4 2809/4885KCNE1 3057/4885

“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.