SCHEMBL18969643

SCHEMBL18969643

CCOC(=O)c1cc(-c2ccccc2OC)n(C2CCCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 12/20 0.51
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FABP3 P05413 3/20 0.44
FABP4 P15090 3/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL18939220 0.88 APLNR (0.53) APLNRKMT2AFABP3FABP4FAAH
SCHEMBL29771936 0.88 APLNR (0.53) APLNRKMT2AFABP3FABP4FAAH
SCHEMBL29771925 0.87 APLNR (0.50) APLNRFABP3FABP4FAAH
SCHEMBL18939233 0.87 APLNR (0.50) APLNRFABP3FABP4FAAH
SCHEMBL18969642 0.85 APLNR (0.53) APLNRFABP3FABP4
SCHEMBL18939309 0.84 APLNR (0.54) APLNR
SCHEMBL29771929 0.84 APLNR (0.54) APLNR
SCHEMBL18969641 0.83 FAAH (0.54) TDP1FABP3FABP4FAAH
SCHEMBL14800200 0.80 MAPT (0.53) MAPTKMT2ATDP1FAAH
SCHEMBL18939308 0.75 KMT2A (0.46) MAPTKMT2AFAAH

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 1/4885MAPT 4339/4885KMT2A 4000/4885

“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.