SCHEMBL2491345

SCHEMBL2491345

Cc1ccc(C(OCCCO)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TK2 O00142 9/20 0.38
TK1 P04183 1/20 0.38
KIF11 P52732 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A11 P48066 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH4 Q9H3N8 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL2490812 0.88 KIF11 (0.39) TK2TK1KIF11TSHRSLC6A11
SCHEMBL15318304 0.85 KIF11 (0.49) TK2TK1KIF11SLC6A11
SCHEMBL2492369 0.82 KIF11 (0.38) KIF11TSHRHRH4
SCHEMBL2494966 0.81 SLC6A11 (0.43) SLC6A11TDP1
SCHEMBL12199493 0.81 KIF11 (0.52) TK2TK1KIF11
SCHEMBL2489501 0.81 RORC (0.42) KIF11SLC6A11HRH4NPC1RAB9A
SCHEMBL2489296 0.81 KIF11 (0.50) TK2TK1KIF11TSHRSLC6A11
SCHEMBL2489713 0.80 KIF11 (0.59) TK2TK1KIF11TSHRHRH4
SCHEMBL334143 0.76 SLC6A11 (0.48) KIF11SLC6A11
SCHEMBL2490391 0.76 KIF11 (0.64) TK2TK1KIF11TSHRSLC6A11

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 TK2 2689/4885TK1 2771/4885KIF11 4556/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 TK2 2492/4885TK1 2725/4885KIF11 4605/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R TK2 2433/4885TK1 2689/4885KIF11 4611/4885

“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.