SCHEMBL17382929

SCHEMBL17382929

Brc1cc(-c2cccc(-c3ccccc3)c2)cc(-c2ccc3sc4c5ccccc5ccc4c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 5/20 0.46
▸ CYP1B1 Q16678 5/20 0.46
▸ CYP1A2 P05177 3/20 0.40
▸ LIMK1 P53667 2/20 0.40
▸ F9 P00740 2/20 0.37
▸ PIM3 Q86V86 2/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ROCK1 Q13464 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL17740695 0.92 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL17382925 0.92 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL17382960 0.88 CYP1A1 (0.41) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL17382939 0.88 CYP1A1 (0.41) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL17247162 0.87 CYP1A1 (0.48) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL17247147 0.87 CYP1A1 (0.48) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL22789798 0.86 CYP1A1 (0.49) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL17247167 0.86 CYP1A1 (0.47) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL15893273 0.85 CYP1A1 (0.48) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL29344301 0.85 CYP1B1 (0.47) CYP1A1CYP1B1CYP1A2LIMK1F9

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 CYP1A1 802/4885CYP1B1 1355/4885CYP1A2 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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