SCHEMBL2492797

SCHEMBL2492797

[CH2]c1ccccc1-c1ccccc1CCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TLR8 Q9NR97 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
TYR P14679 1/20 0.35
GPR3 P46089 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
PPARA Q07869 1/20 0.35
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
CYSLTR2 Q9NS75 2/20 0.34
CYSLTR1 Q9Y271 2/20 0.34
PTPN1 P18031 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
SCHEMBL2494545 0.88 PPARA (0.35) LIPGNR1H2NR1H3CYP2D6ELANE
SCHEMBL2701240 0.88 LIPG (0.50) LIPGNR1H2NR1H3CYP3A4CYP2D6
SCHEMBL2494922 0.86 NR1H2 (0.38) LIPGNR1H2NR1H3CYP3A4CYP2D6
SCHEMBL5615323 0.84 ALOX5 (0.43) LIPGNR1H2NR1H3CYP3A4CYP2D6
SCHEMBL392416 0.84 LIPG (0.47) LIPGNR1H2NR1H3CYP3A4CYP2D6
SCHEMBL1024526 0.81 LIPG (0.59) LIPGNR1H2NR1H3TLR8GPR3
SCHEMBL11416678 0.80 LIPG (0.46) LIPGNR1H2NR1H3THRATHRB
SCHEMBL196217 0.79 LIPG (0.62) LIPGNR1H2NR1H3THRATHRB
SCHEMBL11663988 0.79 LIPG (0.62) LIPGNR1H2NR1H3THRATHRB
SCHEMBL8157124 0.79 LIPG (0.62) LIPGNR1H2NR1H3THRATHRB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
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 LIPG 4511/4885NR1H2 3272/4885NR1H3 2833/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 LIPG 4540/4885NR1H2 3053/4885NR1H3 2569/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R LIPG 4585/4885NR1H2 2980/4885NR1H3 2510/4885

“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.