SCHEMBL17383055

SCHEMBL17383055

Brc1ccc(-c2cc3ccccc3c3c2sc2ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.40
▸ ALOX5 P09917 1/20 0.38
▸ TNKS O95271 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ NQO1 P15559 1/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 4/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34

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
SCHEMBL17383118 0.91 ALOX5 (0.39) PTPN1ALOX5TNKSTNKS2NQO1
SCHEMBL17383059 0.89 CYP2A6 (0.41) PTPN1ALOX5TNKSTNKS2NQO1
SCHEMBL22688465 0.88 ALOX5 (0.36) PTPN1ALOX5TNKSTNKS2NQO1
SCHEMBL19197073 0.88 MEN1 (0.42) PTPN1ALOX5TNKSTNKS2NQO1
SCHEMBL17382913 0.86 NQO2 (0.37) NQO1NQO2GRM2MEN1KMT2A
SCHEMBL17382949 0.84 CYP1B1 (0.40) NQO1NQO2GRM2MEN1KMT2A
SCHEMBL17383086 0.83 PTPN1 (0.37) PTPN1ALOX5TNKSTNKS2NQO1
SCHEMBL21861129 0.83 MEN1 (0.36) PTPN1ALOX5TNKSTNKS2NQO1
SCHEMBL18803778 0.82 ALDH1A1 (0.37) GRM2MEN1KMT2AKDM4EALDH1A1
SCHEMBL25881157 0.82 GPR84 (0.36) PTPN1ALOX5TNKSTNKS2NQO1

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 PTPN1 3325/4885ALOX5 1323/4885TNKS 4056/4885

“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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