SCHEMBL17382960

SCHEMBL17382960

Brc1ccc(-c2ccc(-c3ccc4sc5c6ccccc6ccc5c4c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 6/20 0.41
▸ CYP1B1 Q16678 6/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ LIMK1 P53667 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ F9 P00740 2/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ HPRT1 P00492 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ PTPN1 P18031 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
SCHEMBL17382939 1.00 CYP1A1 (0.41) CYP1A1CYP1B1CYP1A2LIMK1ALDH1A1
SCHEMBL17382925 0.96 CYP1A1 (0.45) CYP1A1CYP1B1CYP1A2LIMK1ALDH1A1
SCHEMBL29344301 0.91 CYP1B1 (0.47) CYP1A1CYP1B1CYP1A2LIMK1ALDH1A1
SCHEMBL17382978 0.90 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2LIMK1ALDH1A1
SCHEMBL15945887 0.89 CYP1B1 (0.44) CYP1A1CYP1B1CYP1A2LIMK1ALDH1A1
SCHEMBL15945889 0.89 CYP1B1 (0.44) CYP1A1CYP1B1CYP1A2LIMK1ALDH1A1
SCHEMBL15893272 0.88 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL17382929 0.88 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2LIMK1ALDH1A1
SCHEMBL30960396 0.88 CYP2A6 (0.42) CYP1A1CYP1B1CYP1A2ALDH1A1CYP2A6
SCHEMBL17383062 0.88 CYP2A6 (0.42) CYP1A1CYP1B1CYP1A2ALDH1A1CYP2A6

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.

Send feedback