SCHEMBL2492316

SCHEMBL2492316

CCCCNc1ccccc1[CH]c1ccccc1NCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
UTS2R Q9UKP6 1/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
GBA1 P04062 1/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APAF1 O14727 1/20 0.40
BCHE P06276 2/20 0.39
POLB P06746 1/20 0.39
TRPC3 Q13507 1/20 0.39
TRPC4 Q9UBN4 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
TSHR P16473 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
SCHEMBL2495323 0.88 IDO1 (0.46) TLR8MAPTHTTKDM4EALDH1A1
SCHEMBL4947158 0.85 CYP2C9 (0.44) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10628642 0.85 TLR8 (0.43) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL309485 0.83 TLR8 (0.53) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11623780 0.81 L3MBTL1 (0.43) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4954523 0.81 L3MBTL1 (0.43) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4958966 0.81 L3MBTL1 (0.43) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5324158 0.81 CYP1A2 (0.41) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4958970 0.80 L3MBTL1 (0.43) TLR8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7285847 0.80 L3MBTL1 (0.46) TLR8CYP1A2CYP3A4CYP2C9CYP2C19

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 TLR8 4709/4885CYP1A2 28/4885CYP3A4 115/4885
US-20150328107-A1 MELANIN PRODUCTION INHIBITOR TYR, MC1R, F12 TLR8 4774/4885CYP1A2 28/4885CYP3A4 106/4885
US-20140363389-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, MC1R TLR8 4738/4885CYP1A2 27/4885CYP3A4 104/4885

“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.