SCHEMBL2494562

SCHEMBL2494562

CCCCc1ccccc1[C](c1ccccc1CCCC)c1ccccc1CCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.50
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TYR P14679 1/20 0.42
TSHR P16473 4/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
TLR8 Q9NR97 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39

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
SCHEMBL2491587 0.86 FOLH1 (0.41) LIPGTSHRHTTTP53ALDH1A1
SCHEMBL5597104 0.85 LIPG (0.48) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL9806328 0.85 LIPG (0.48) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL1404026 0.83 TSHR (0.47) LIPGCYP3A4CYP2D6CYP2C9TSHR
SCHEMBL2567958 0.83 TSHR (0.47) LIPGCYP3A4CYP2D6CYP2C9TSHR
SCHEMBL721716 0.82 LIPG (0.46) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL2171647 0.82 TSHR (0.46) LIPGCYP3A4CYP2D6CYP2C9TSHR
SCHEMBL9791249 0.82 LIPG (0.46) LIPGCYP3A4CYP2D6CYP2C9TYR
SCHEMBL165530 0.82 FOLH1 (0.61) CYP3A4TSHRTP53MAPK1ALDH1A1
SCHEMBL816917 0.82 LIPG (0.46) LIPGCYP3A4CYP2D6CYP2C9TYR

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 4511/4885CYP3A4 115/4885CYP2D6 141/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 LIPG 4540/4885CYP3A4 106/4885CYP2D6 116/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R LIPG 4585/4885CYP3A4 104/4885CYP2D6 137/4885

“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.