SCHEMBL18803778

SCHEMBL18803778

Brc1ccc(-c2cc3ccccc3c3c2sc2c4ccccc4c4ccccc4c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GRM2 Q14416 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAOB P27338 1/20 0.33

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
SCHEMBL17382949 0.84 CYP1B1 (0.40) ALDH1A1HSD17B10HIF1AGRM2MEN1
SCHEMBL17382913 0.83 NQO2 (0.37) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL17383055 0.82 PTPN1 (0.40) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL17383133 0.82 ALDH1A1 (0.38) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL17383075 0.78 ALDH1A1 (0.38) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL895891 0.77 CYP11B1 (0.50) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL29596315 0.77 CYP11B1 (0.50) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL19080247 0.76 HPGD (0.37) ALDH1A1HPGDMAPK1HSD17B10TSHR
SCHEMBL23697444 0.76 CYP11B1 (0.49) ALDH1A1HPGDMAPK1HSD17B10TSHR
Benzene SCHEMBL21624613 0.76 GRM2 (0.50) ALDH1A1HPGDMAPK1HSD17B10TSHR

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-20170125689-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-05-04 — — US disclosed
US-20170125689-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-05-04 — — 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-20170125689-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF GPX1, OR51E2, OCIAD1 ALDH1A1 436/4885HPGD 2868/4885MAPK1 417/4885

“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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