SCHEMBL3064879

SCHEMBL3064879

Cc1cc(C(=O)O)n(C(C)c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.55
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
FAAH O00519 1/20 0.44
GAA P10253 1/20 0.44
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
GABRA1 P14867 1/20 0.40
CYP2C19 P33261 1/20 0.40
GABRB2 P47870 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL24799293 0.89 BRD4 (0.53) BRD4ALDH1A1TDP1FAAHBRD2
SCHEMBL23780347 0.84 ALDH1A1 (0.41) BRD4ALDH1A1TDP1GAAHSD17B10
SCHEMBL20489185 0.84 BRD4 (0.66) BRD4ALDH1A1TDP1FAAHGAA
SCHEMBL20489187 0.84 BRD4 (0.66) BRD4ALDH1A1TDP1FAAHGAA
SCHEMBL18115981 0.83 CYP1A2 (0.58) BRD4ALDH1A1TDP1CYP1A2CYP3A4
SCHEMBL24966158 0.83 BRD4 (0.53) BRD4ALDH1A1TDP1FAAHGAA
SCHEMBL3670839 0.80 ALDH1A1 (0.44) ALDH1A1GAALMNAPOLB
SCHEMBL20489161 0.79 BRD4 (0.62) BRD4ALDH1A1TDP1FAAHBRD2
SCHEMBL20489165 0.79 BRD4 (0.62) BRD4ALDH1A1TDP1FAAHBRD2
SCHEMBL20488202 0.79 BRD4 (0.87) BRD4BRD2BRD3BRDT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 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 (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-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C BRD4 3098/4885ALDH1A1 1193/4885TDP1 3364/4885

“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.