SCHEMBL4336695

SCHEMBL4336695

CCCCCCOc1ccc(-c2cc(CBr)ccc2CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NR5A1 Q13285 1/20 0.45
RARB P10826 3/20 0.45
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43

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
SCHEMBL8533362 0.82 RARB (0.58) NPC1RAB9ANR5A1RARBCYP3A4
SCHEMBL8532324 0.82 RARB (0.58) NPC1RAB9ANR5A1RARBCYP3A4
SCHEMBL8759014 0.82 RARB (0.58) NPC1RAB9ANR5A1RARBCYP3A4
SCHEMBL7136341 0.82 PTPN11 (0.50) PTPN11NPC1RAB9ANR5A1RARB
SCHEMBL4335776 0.81 PTPN11 (0.46) PTPN11NPC1RAB9ANR5A1RARB
SCHEMBL9561907 0.81 NR5A1 (0.61) NPC1RAB9ANR5A1
SCHEMBL2553422 0.81 NR5A1 (0.61) NPC1RAB9ANR5A1
SCHEMBL11144854 0.81 NR5A1 (0.61) NPC1RAB9ANR5A1
SCHEMBL14064703 0.81 NR5A1 (0.61) NPC1RAB9ANR5A1
SCHEMBL4809789 0.81 NR5A1 (0.61) NPC1RAB9ANR5A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975710-B2 POLYMER ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2009-06-10 EP claimed
US-6509507-B2 Reacting a 6-membered aromatic ring with 1,4- position ester or benzylic OH groups with a second aromatic in a palladium catalyzed cross-coupling; electroluminescence AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2003-01-21 US disclosed
US-6458909-B1 SOLID-STATE LIGHT SOURCES FOR A SERIES OF APPLICATIONS, PREDOMINANTLY IN THE FIELD OF DISPLAY ELEMENTS HOECHST AKTIENGESELLSCHAFT (DE) 2002-10-01 US disclosed
US-20020087030-A1 Polymerizable biaryls, process for their preparation and their use MERCK PATENT GMBH (DE) 2002-07-04 US disclosed
EP-0944569-B1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF CELANESE VENTURES GMBH (DE) 2002-04-10 EP disclosed
EP-0944663-B1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS CELANESE VENTURES GMBH (DE) 2002-03-27 EP disclosed
US-6323373-B1 USED TO OBTAIN POLYMERS WHICH ARE USED AS ELECTROLUMINESCENCE MATERIALS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-11-27 US disclosed
EP-0944569-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF Aventis Research & Technologies GmbH & Co. KG (DE) 1999-09-29 EP disclosed
WO-1998025874-A1 POLYMERIZABLE BIARYLS, METHOD FOR THE PRODUCTION AND USE THEREOF AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-18 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-20020087030-A1 Polymerizable biaryls, process for their preparation and their use PAH, TYR, PAICS PTPN11 4853/4885NPC1 4596/4885RAB9A 1065/4885

“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.