SCHEMBL4335776

SCHEMBL4335776

CCCCCCOc1ccc(-c2cc(CCl)ccc2CCl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NR5A1 Q13285 1/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
RARB P10826 3/20 0.45
S1PR1 P21453 6/20 0.43
S1PR5 Q9H228 5/20 0.43
S1PR3 Q99500 4/20 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
SMN1; SMN2 Q16637 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
SCHEMBL7736662 0.85 ALDH1A1 (0.53) PTPN11NPC1RAB9ATP53MEN1
SCHEMBL9428427 0.82 RARB (0.58) NPC1RAB9ANR5A1TP53MEN1
SCHEMBL8541287 0.82 RARB (0.58) NPC1RAB9ANR5A1TP53MEN1
SCHEMBL9808834 0.82 RARB (0.58) NPC1RAB9ANR5A1TP53MEN1
SCHEMBL7136341 0.82 PTPN11 (0.50) PTPN11NPC1RAB9ANR5A1TP53
SCHEMBL4336695 0.81 PTPN11 (0.46) PTPN11NPC1RAB9ANR5A1MEN1
SCHEMBL3045830 0.81 NR5A1 (0.61) NPC1RAB9ANR5A1TP53MEN1
SCHEMBL3041460 0.81 NR5A1 (0.61) NPC1RAB9ANR5A1TP53MEN1
SCHEMBL3051075 0.81 NR5A1 (0.61) NPC1RAB9ANR5A1TP53MEN1
SCHEMBL3046736 0.81 NR5A1 (0.61) NPC1RAB9ANR5A1TP53MEN1

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 11 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-0944663-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS Celanese Ventures GmbH (DE) 1999-09-29 EP 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-1998027136-A1 ARYL-SUBSTITUTED POLY(p-ARYLENE VINYLENES), METHOD FOR THE PRODUCTION AND USE THEREOF IN ELECTROLUMINESCENT COMPONENTS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO KG (DE) 1998-06-25 WO 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.