SCHEMBL10079536

SCHEMBL10079536

CCCOc1c2c(c(OCc3ccccc3)c3ccccc13)C(=O)N(c1ccc(CC=O)cc1F)C2=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM5 P41594 1/20 0.31

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
SCHEMBL10078417 0.93 PTGER4 (0.43) PTGER4CYP1A2CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL10078912 0.92 PTGER4 (0.50) PTGER4CYP1A2CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL10079272 0.88 PTGER4 (0.40) PTGER4CYP1A2CYP2D6
SCHEMBL9947627 0.88 PTGER4 (0.57) PTGER4CYP1A2CYP2D6ALDH1A1USP2
SCHEMBL10078896 0.88 PTGER4 (0.40) PTGER4CYP1A2CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL10058518 0.84 PTGER4 (0.49) PTGER4CYP1A2CYP2D6ALDH1A1
SCHEMBL10078419 0.83 PTGER4 (0.42) PTGER4CYP1A2CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL12326079 0.83 PTGER4 (0.52) PTGER4CYP1A2CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL2298118 0.82 PTGER4 (0.61) PTGER4CYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL1590570 0.81 PTGER4 (0.40) PTGER4CYP1A2CYP2D6ALDH1A1USP2

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-8207213-B2 Benzoisoindole derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
US-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2011-04-21 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-20110092561-A1 BENZOISOINDOLE DERIVATIVES FOR THE TREATMENT OF PAIN OPRK1, OPRD1, OPRL1 PTGER4 106/4885CYP1A2 41/4885CYP2D6 52/4885

“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.