SCHEMBL1591280

SCHEMBL1591280

CCC(C(=O)O)c1ccc(N2C(=O)c3c(c(OCc4ccccc4)c4ccccc4c3OC)C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.57
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
AKR1C1 Q04828 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL1590693 0.96 PTGER4 (0.56) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL1590387 0.93 PTGER4 (0.62) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL1590412 0.91 PTGER4 (0.52) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL1590411 0.90 PTGER4 (0.51) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL1590098 0.87 PTGER4 (0.57) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL3562793 0.86 PTGER4 (0.66) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL1590136 0.85 PTGER4 (0.55) PTGER4CYP1A2CYP2D6MEN1KMT2A
SCHEMBL3561182 0.84 PTGER4 (0.55) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL3558593 0.83 PTGER4 (0.54) PTGER4CYP1A2CYP2D6HTR1AADRA1A
SCHEMBL4408305 0.82 PTGER4 (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.