SCHEMBL21665619

SCHEMBL21665619

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(Nc3ccc4ccccc4c3)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
P2RY2 P41231 2/20 0.39
ENTPD1 P49961 2/20 0.39
MAPK14 Q16539 1/20 0.38
MAPT P10636 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
TNF P01375 1/20 0.37
MAPK1 P28482 1/20 0.37
NOD1 Q9Y239 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL24794293 0.91 ALDH1A1 (0.44) ALDH1A1CYP3A4HSD17B10HPGDP2RY2
SCHEMBL21665672 0.89 MAPK14 (0.49) ALDH1A1CYP3A4HSD17B10HPGDP2RY2
SCHEMBL25561590 0.89 FABP3 (0.37) ALDH1A1CYP3A4HSD17B10HPGDMAPT
SCHEMBL18294150 0.87 MAPT (0.39) ALDH1A1HSD17B10HPGDMAPK14MAPT
SCHEMBL20434441 0.87 PDK2 (0.41) ALDH1A1HSD17B10HPGDMAPK14MAPT
SCHEMBL21665676 0.85 TSHR (0.40) ALDH1A1CYP3A4HSD17B10HPGDP2RY2
SCHEMBL17194811 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4HSD17B10HPGDP2RY2
SCHEMBL19221261 0.83 MAPK14 (0.35) ALDH1A1CYP3A4HSD17B10HPGDMAPK14
SCHEMBL25740808 0.82 PDK2 (0.34) ALDH1A1CYP3A4HSD17B10HPGDMAPK14
SCHEMBL15250356 0.82 MEN1 (0.46) ALDH1A1CYP3A4HSD17B10HPGDP2RY2

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-20200039993-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD (KR) 2020-02-06 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-20200039993-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR OR51E2, WEE1, WEE2 ALDH1A1 790/4885CYP3A4 238/4885HSD17B10 2721/4885

“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.