SCHEMBL1667780

SCHEMBL1667780

NC(=O)c1cccc(-c2ccccc2OCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.72
PTGER4 P35408 5/20 0.63
PTGER3 P43115 5/20 0.63
PTGER2 P43116 5/20 0.63
RXRA P19793 1/20 0.60
RXRB P28702 1/20 0.60
RXRG P48443 1/20 0.60
CYP2C9 P11712 1/20 0.60
MCL1 Q07820 1/20 0.57
CFD P00746 1/20 0.55
PPIA P62937 1/20 0.53
PARP10 Q53GL7 1/20 0.51
PARP1 P09874 1/20 0.51

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
SCHEMBL9526423 0.86 PTGER1 (0.72) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL20848378 0.85 MRGPRX4 (0.54) PTGER1PTGER4PTGER3PTGER2CYP2C9
SCHEMBL5096132 0.84 PTGER1 (1.00) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL5227439 0.83 RXRA (0.59) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL14720858 0.80 PARP10 (0.60) PTGER1MCL1PARP10
SCHEMBL4320064 0.79 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL2575349 0.79 PTGER1 (0.49) PTGER1CYP2C9CFDPPIAPARP10
SCHEMBL3861503 0.79 KAT6A (0.56) PARP1
SCHEMBL3789362 0.79 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2RXRA
SCHEMBL26160118 0.78 MAOB (0.52) PTGER1CYP2C9CFD

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-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS S.A. 2012-10-18 US disclosed
EP-2486002-A1 SUBSTITUTED HETEROARYL- AND ARYL- CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE Oryzon Genomics, S.A. (ES) 2012-08-15 EP disclosed
WO-2011042217-A1 SUBSTITUTED HETEROARYL- AND ARYL- CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS S.A. (ES) 2011-04-14 WO 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-20120264823-A1 SUBSTITUTED HETEROARYL- AND ARYL-CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE CBR1, CNR1, CBR3 PTGER1 1191/4885PTGER4 3511/4885PTGER3 2560/4885

“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.