SCHEMBL2490811

SCHEMBL2490811

Cc1ccccc1C(OCCO)(c1ccccc1C)c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
RECQL P46063 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
KIF11 P52732 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 3/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.32
CHRM3 P20309 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CASR P41180 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
TRPA1 O75762 1/20 0.30
ATM Q13315 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
SCHEMBL2491620 0.90 KIF11 (0.44) ALDH1A1RECQLKIF11TSHRCHRM3
SCHEMBL2491343 0.89 ALDH1A1 (0.36) ALDH1A1GABRA1GABRB2KIF11TSHR
SCHEMBL2490388 0.81 KIF11 (0.55) ALDH1A1GABRA1GABRB2KIF11TSHR
SCHEMBL2489201 0.80 KIF11 (0.42) ALDH1A1KIF11TSHRCHRM3TK2
SCHEMBL2494529 0.78 ALDH1A1 (0.43) ALDH1A1RECQLGABRA1GABRB2KIF11
SCHEMBL2489288 0.78 KIF11 (0.43) KIF11SCN8ATK2
SCHEMBL2491593 0.78 CA1 (0.41) ALDH1A1TSHRKDM4ECTNNB1WNT3A
SCHEMBL2493496 0.77 KIF11 (0.37) ALDH1A1RECQLKIF11CTNNB1WNT3A
SCHEMBL2493486 0.72 KIF11 (0.68) KIF11TK2
SCHEMBL2491921 0.71 KIF11 (0.63) ALDH1A1RECQLKIF11TSHRGAA

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 ALDH1A1 1292/4885RECQL 2613/4885GABRA1 335/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 ALDH1A1 1031/4885RECQL 2747/4885GABRA1 334/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R ALDH1A1 1187/4885RECQL 2738/4885GABRA1 360/4885

“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.