SCHEMBL2491594

SCHEMBL2491594

COc1ccc(C(OCCO)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 5/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A12 P48065 1/20 0.45
SLC6A13 Q9NSD5 1/20 0.45
SLC6A1 P30531 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL992028 0.93 SLC6A11 (0.50) SLC6A11CYP3A4MEN1TP53CYP1A2
SCHEMBL2490410 0.93 SLC6A11 (0.50) SLC6A11CYP3A4MEN1TP53CYP1A2
SCHEMBL2494966 0.89 SLC6A11 (0.43) SLC6A11CYP3A4MEN1TP53CYP1A2
SCHEMBL12199494 0.87 KIF11 (0.51) SLC6A11CYP3A4MEN1TP53CYP1A2
SCHEMBL6040158 0.84 SLC6A11 (0.46) SLC6A11CYP3A4MEN1TP53CYP1A2
SCHEMBL2385290 0.84 SLC6A11 (0.46) SLC6A11CYP3A4MEN1TP53CYP1A2
SCHEMBL2400336 0.84 SLC6A11 (0.46) SLC6A11CYP3A4MEN1TP53CYP1A2
SCHEMBL13575115 0.84 SLC6A11 (0.46) SLC6A11CYP3A4MEN1TP53CYP1A2
SCHEMBL334143 0.83 SLC6A11 (0.48) SLC6A11CYP3A4MEN1TP53CYP1A2
SCHEMBL8860350 0.82 SLC6A11 (0.47) SLC6A11CYP3A4MEN1TP53CYP1A2

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 SLC6A11 862/4885CYP3A4 115/4885MEN1 1585/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 SLC6A11 863/4885CYP3A4 106/4885MEN1 1346/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R SLC6A11 1010/4885CYP3A4 104/4885MEN1 1200/4885

“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.