SCHEMBL10078419

SCHEMBL10078419

CCCOc1c2c(c(OCc3ccccc3)c3ccccc13)C(=O)N(c1ccc(CC=O)c(F)c1)C2=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM5 P41594 3/20 0.36
PPARA Q07869 3/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10079270 0.93 PTGER4 (0.43) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL10078913 0.93 PTGER4 (0.51) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL10078416 0.88 PTGER4 (0.40) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL10079527 0.87 PTGER4 (0.41) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL9947679 0.87 PTGER4 (0.58) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL10058523 0.84 PTGER4 (0.50) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL10079536 0.83 PTGER4 (0.42) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL8588489 0.81 PTGER4 (0.63) PTGER4CYP1A2CYP2D6PPARAPPARG
SCHEMBL9947957 0.79 PTGER4 (0.59) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL1590169 0.79 PTGER4 (0.47) PTGER4CYP1A2CYP2D6MEN1KMT2A

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.