SCHEMBL3269033

SCHEMBL3269033

CCc1[c]c2ccccc2c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.35
CYP2A6 P11509 3/20 0.35
CYP2C19 P33261 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
BACE1 P56817 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NQO2 P16083 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KIF11 P52732 1/20 0.30

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
SCHEMBL5950101 0.77 IDO1 (0.34)
SCHEMBL292398 0.75 CYP1A2 (0.40) CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1
SCHEMBL11265175 0.72 CYP1A2 (0.38) CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1
SCHEMBL16426466 0.72 CYP1A2 (0.38) CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1
SCHEMBL5746244 0.69 HTT (0.36) CYP1A2ALDH1A1HPGDKDM4ELMNA
SCHEMBL3120897 0.67 HPRT1 (0.45) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL2455965 0.67 CYP1A2 (0.31) CYP1A2HPGDHSD17B10
SCHEMBL328776 0.66 HPRT1 (0.48) CYP1A2CYP2A6CYP2C19ALDH1A1HPGD
SCHEMBL8651623 0.66 SENP2 (0.35) CYP1A2CYP2A6CYP2C19TNKS2ALDH1A1
SCHEMBL66086 0.65 CYP1A2 (0.39) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP 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 (1 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 CYP1A2 972/4885CYP2A6 572/4885CYP2C19 1776/4885

“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.