SCHEMBL17382949

SCHEMBL17382949

Brc1ccc(-c2cc3ccccc3c3c2sc2c4ccccc4ccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 7/20 0.40
▸ CYP1A1 P04798 6/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ NQO2 P16083 2/20 0.35
▸ NQO1 P15559 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2A6 P11509 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
SCHEMBL17382913 0.84 NQO2 (0.37) CYP1B1CYP1A1CYP1A2NQO2NQO1
SCHEMBL17383055 0.84 PTPN1 (0.40) NQO2NQO1GRM2ALDH1A1HIF1A
SCHEMBL18803778 0.84 ALDH1A1 (0.37) CYP1B1CYP1A1CYP1A2GRM2ALDH1A1
SCHEMBL17383087 0.81 CYP1A1 (0.43) CYP1B1CYP1A1CYP1A2GRM2ALDH1A1
SCHEMBL17383173 0.80 ALDH1A1 (0.45) CYP1B1CYP1A1CYP1A2ALDH1A1HIF1A
SCHEMBL14883013 0.80 CYP1A1 (0.47) CYP1B1CYP1A1CYP1A2NQO2NQO1
SCHEMBL17382912 0.80 CYP1A1 (0.40) CYP1B1CYP1A1CYP1A2NQO2NQO1
SCHEMBL17383094 0.79 CYP1A1 (0.42) CYP1B1CYP1A1CYP1A2ALDH1A1ADORA3
SCHEMBL17383065 0.79 CYP1B1 (0.45) CYP1B1CYP1A1CYP1A2NQO2NQO1
SCHEMBL22688446 0.77 CYP1A1 (0.40) CYP1B1CYP1A1CYP1A2NQO2NQO1

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 3 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
WO-2015194791-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2015-12-23 — — WO 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 CYP1B1 1355/4885CYP1A1 802/4885CYP1A2 1264/4885

“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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