SCHEMBL21717856

SCHEMBL21717856

c1ccc2c(c1)ccc1c2c2cccc3c4cc(-c5ccc6c(c5)c5cc7ccccc7c7c8ccccc8n6c57)ccc4n1c32

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGES O14684 1/20 0.33
NQO2 P16083 1/20 0.30
FLT3 P36888 1/20 0.30
BMX P51813 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
SCHEMBL24026877 0.91 ALDH1A1 (0.35) ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL21710590 0.88 CYP1A2 (0.38) ALDH1A1HIF1ACYP1B1HSD17B10PTGES
SCHEMBL21710698 0.88 ALDH1A1 (0.41) ALDH1A1HIF1ACYP1B1HSD17B10PTGES
SCHEMBL24026862 0.87 ALDH1A1 (0.34) ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL22858105 0.87 PTGES (0.35) ALDH1A1CYP1B1PTGES
SCHEMBL21718134 0.87 PTGES (0.35) ALDH1A1CYP1B1PTGES
SCHEMBL21710485 0.87 HPRT1 (0.36) ALDH1A1HIF1ACYP1B1HSD17B10PTGES
SCHEMBL21718109 0.85 TSPO (0.36) HSD17B10PTGES
SCHEMBL22858086 0.85 PTGES (0.35) ALDH1A1CYP1B1PTGES
SCHEMBL21717841 0.85 TSPO (0.38) ALDH1A1HIF1ACYP1B1HSD17B10PTGES

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-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 (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-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 ALDH1A1 153/4885HIF1A 3925/4885CYP1B1 1063/4885

“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.