SCHEMBL2489201

SCHEMBL2489201

Cc1ccccc1C(OCCCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
TK2 O00142 11/20 0.42
TK1 P04183 3/20 0.41
HRH4 Q9H3N8 1/20 0.38
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL2491620 0.90 KIF11 (0.44) KIF11TK2TK1HRH4CYP2C9
SCHEMBL2491343 0.90 ALDH1A1 (0.36) KIF11TK2TK1TSHRCHRM3
SCHEMBL2493523 0.84 KIF11 (0.54) KIF11TK2TK1HRH4CYP2C9
SCHEMBL2489713 0.83 KIF11 (0.59) KIF11TK2TK1HRH4CYP2C9
SCHEMBL2492118 0.83 KIF11 (0.43) KIF11TK2TK1HRH4CYP2C9
SCHEMBL2491447 0.82 KIF11 (0.40) KIF11TK2TK1HRH4ALDH1A1
SCHEMBL2492412 0.81 KIF11 (0.46) KIF11TK2TK1HRH4CYP2C9
SCHEMBL2493486 0.81 KIF11 (0.68) KIF11TK2TK1
SCHEMBL2490811 0.80 ALDH1A1 (0.36) KIF11TK2TSHRCHRM3ALDH1A1
SCHEMBL8868959 0.78 KIF11 (0.57) KIF11TK2TK1HRH4CYP2C9

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

“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.