SCHEMBL20598790

SCHEMBL20598790

Brc1cccc(-c2ccc(-c3cccc4ccccc34)c3c(-c4cccc5ccccc45)cccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 3/20 0.43
HSD17B10 Q99714 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CASP1 P29466 2/20 0.43
HIF1A Q16665 2/20 0.43
MAOB P27338 2/20 0.41
CYP1A2 P05177 1/20 0.41
MAOA P21397 1/20 0.41
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
BIRC5 O15392 1/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
HKDC1 Q2TB90 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL30509653 0.90 HKDC1 (0.47) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL323040 0.90 HKDC1 (0.47) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL29521527 0.90 MAOB (0.47) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL30490392 0.90 MAOB (0.47) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL1040847 0.90 MAOB (0.47) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL18371181 0.87 HKDC1 (0.45) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL14981729 0.86 BIRC5 (0.47) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL21368368 0.83 MAPK1 (0.50) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL16683256 0.82 MAOB (0.41) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL1527551 0.81 HPRT1 (0.50) ALDH1A1HPGDTSHRMAPK1HSD17B10

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-20190006609-A1 ORGANIC FUNCTIONAL COMPOUND FOR PREPARING ORGANIC ELECTRONIC DEVICE AND APPLICATION THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-01-03 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-20190006609-A1 ORGANIC FUNCTIONAL COMPOUND FOR PREPARING ORGANIC ELECTRONIC DEVICE AND APPLICATION THEREOF FES, KCNA7, KCNE1 ALDH1A1 2545/4885HPGD 2028/4885TSHR 4428/4885

“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.