SCHEMBL10078415

SCHEMBL10078415

CC(C)Oc1c2c(c(OCc3ccccc3)c3ccccc13)C(=O)N(c1ccc(CC=O)cc1)C2=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
PDE10A Q9Y233 1/20 0.37
GRM5 P41594 2/20 0.36
EDNRA P25101 1/20 0.36
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL10078977 0.91 PTGER4 (0.55) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL13594930 0.88 PTGER4 (0.48) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL10079617 0.88 PTGER4 (0.65) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL10079619 0.88 PTGER4 (0.61) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL10078416 0.86 PTGER4 (0.40) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL4410567 0.86 PTGER4 (0.69) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL10078916 0.86 PTGER4 (0.46) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL13594947 0.85 PTGER4 (0.47) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL13594923 0.85 PTGER4 (0.48) PTGER4CYP1A2CYP2D6KMT2AMEN1
SCHEMBL10078896 0.84 PTGER4 (0.40) PTGER4CYP1A2CYP2D6KMT2AMEN1

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
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
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS GLAXO GROUP LIMITED 2009-12-24 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 (2 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
US-20090318523-A1 BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS PTGER4, PTGER3, HTR4 PTGER4 1/4885CYP1A2 328/4885CYP2D6 445/4885

“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.