SCHEMBL18969642

SCHEMBL18969642

COc1ccccc1-c1cc(C(=O)O)nn1C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 15/20 0.53
FABP3 P05413 3/20 0.47
FABP4 P15090 3/20 0.47

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
SCHEMBL18939322 0.87 APLNR (0.60) APLNR
SCHEMBL18969643 0.85 APLNR (0.51) APLNRFABP3FABP4
SCHEMBL18939540 0.85 APLNR (0.55) APLNRFABP3FABP4
SCHEMBL29771940 0.85 APLNR (0.55) APLNRFABP3FABP4
SCHEMBL29771934 0.82 APLNR (0.53) APLNRFABP3FABP4
SCHEMBL18939307 0.82 APLNR (0.53) APLNRFABP3FABP4
SCHEMBL29771942 0.82 APLNR (0.55) APLNR
SCHEMBL18939402 0.82 APLNR (0.55) APLNR
SCHEMBL18939425 0.79 RPA1 (0.54) FABP3FABP4
SCHEMBL18939591 0.79 APLNR (0.54) APLNR

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-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2017-06-15 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-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP APLNR 1/4885FABP3 112/4885FABP4 174/4885

“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.