SCHEMBL21718366

SCHEMBL21718366

COc1cc2ccccc2c(Cl)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
ERN1 O75460 1/20 0.44
MAPT P10636 2/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
ALDH1A1 P00352 2/20 0.42
EP300 Q09472 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
RXRA P19793 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOB P27338 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL30707088 0.86 NQO1 (0.46) NQO1ERN1MAPTALDH1A1EP300
SCHEMBL23043242 0.86 NQO1 (0.46) NQO1ERN1MAPTALDH1A1EP300
SCHEMBL6545110 0.83 NQO1 (0.50) NQO1ERN1MAPTALDH1A1EP300
SCHEMBL5612804 0.81 MAPT (0.55) NQO1ERN1MAPTALDH1A1EP300
SCHEMBL20562674 0.80 NQO1 (0.47) NQO1ERN1MAPTALDH1A1EP300
SCHEMBL2328658 0.80 PTGES (0.48) NQO1ERN1MAPTALDH1A1KDM4E
SCHEMBL8082067 0.80 ERN1 (0.61) NQO1ERN1MAPTALDH1A1EP300
SCHEMBL30446731 0.79 TRPM4 (0.36) NQO1ERN1HPGDNPC1RAB9A
SCHEMBL20562381 0.79 NQO1 (0.46) NQO1ERN1MAPTALDH1A1EP300
SCHEMBL6345611 0.79 ALDH1A1 (0.46) NQO1ERN1MAPTALDH1A1EP300

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-20200321536-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-10-08 US disclosed
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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 (2 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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 NQO1 441/4885ERN1 287/4885MAPT 1866/4885
US-20200321536-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, LEF1, RPS12 NQO1 2042/4885ERN1 401/4885MAPT 1589/4885

“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.