SCHEMBL22369697

SCHEMBL22369697

c1ccc(B2c3ccccc3N3c4ccccc4N(c4ccccc4)c4cccc2c43)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BCHE P06276 1/20 0.31
GAA P10253 1/20 0.31
CES1 P23141 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL23312002 0.89
SCHEMBL12121281 0.88 ALDH1A1 (0.37) CES2ALDH1A1BCHEGAACES1
SCHEMBL22259885 0.88
SCHEMBL26728360 0.87 CES2 (0.31) CES2ALDH1A1BCHEGAACES1
SCHEMBL22139222 0.86
SCHEMBL23730526 0.84 ALDH1A1 (0.37) CES2ALDH1A1BCHEGAACES1
SCHEMBL22369699 0.84 NOTUM (0.31)
SCHEMBL22039993 0.84
SCHEMBL26305464 0.83 CES2 (0.33) CES2ALDH1A1BCHEGAACES1
SCHEMBL24893657 0.83 GAA (0.34) CES2ALDH1A1BCHEGAACES1

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-20200274075-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-08-27 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-20200274075-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, LEF1 CES2 512/4885ALDH1A1 8/4885BCHE 1949/4885

“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.