SCHEMBL20693379

SCHEMBL20693379

Cc1ccc2c(oc3ncccc32)c1N1c2ccccc2-c2ccccc2N(C)[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GLA P06280 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PIK3CA P42336 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HKDC1 Q2TB90 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL23729265 0.92 KDM4E (0.32) KDM4EALDH1A1PIK3CA
SCHEMBL16726451 0.92 KDM4E (0.32) KDM4EALDH1A1PIK3CA
SCHEMBL20693975 0.87 GLA (0.36) HPGDKDM4EALDH1A1GLANPSR1
SCHEMBL20349244 0.87 PIK3CA (0.32) PIK3CA
SCHEMBL24444128 0.87 PIK3CA (0.32) PIK3CA
SCHEMBL16716071 0.87 PIK3CA (0.32) PIK3CA
SCHEMBL16726485 0.85 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL20693838 0.84 GPR3 (0.35) HPGDKDM4EALDH1A1GLANPSR1
SCHEMBL20697844 0.82 KDM4E (0.32) KDM4EALDH1A1PIK3CA
SCHEMBL20349265 0.82 KDM4E (0.32) KDM4EALDH1A1PIK3CA

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-20190036040-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-01-31 — — 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-20190036040-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES MCU, ICMT, ORAI2 HPGD 3937/4885KDM4E 3843/4885ALDH1A1 2712/4885

“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.

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