SCHEMBL333685

SCHEMBL333685

CC(C)(C)P(c1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
HBB P68871 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPC1 O15118 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
GPR3 P46089 1/20 0.30

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
SCHEMBL29492107 1.00 ALDH1A1 (0.30) ALDH1A1HBBHSD17B10NPC1PLA2G1B
SCHEMBL29548615 0.89 NPC1 (0.36) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL196673 0.89 NPC1 (0.36) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL8035602 0.87 ALDH1A1 (0.40) ALDH1A1HSD17B10NPC1NFKB1CASP3
SCHEMBL4428859 0.87 PTGS2 (0.37) ALDH1A1HSD17B10
SCHEMBL316666 0.87
SCHEMBL29353415 0.86 ALDH1A1 (0.38) ALDH1A1HSD17B10
SCHEMBL56503 0.86 ALDH1A1 (0.38) ALDH1A1HSD17B10
SCHEMBL1315082 0.86 MAPK1 (0.32) ALDH1A1
SCHEMBL30480018 0.86 MAPK1 (0.32) ALDH1A1

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 277 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981560-B1 CURING OF LIQUID THERMOSETTING RESINS REICHHOLD LLC 2 (US) 2021-10-13 EP claimed
EP-2981560-A1 CURING OF LIQUID THERMOSETTING RESINS Reichhold, Inc. (US) 2016-02-10 EP claimed
US-9068045-B2 Curing of liquid thermosetting resins REICHHOLD, INC. (US) 2015-06-30 US claimed
US-20140303315-A1 CURING OF LIQUID THERMOSETTING RESINS Polynt Composites USA Inc. 2014-10-09 US claimed
WO-2014165425-A1 CURING OF LIQUID THERMOSETTING RESINS REICHHOLD, INC. (US) 2014-10-09 WO claimed
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US claimed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 US claimed
US-8188282-B2 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2012-05-29 US claimed
EP-2044033-B1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2012-02-08 EP claimed
EP-2173747-B1 A REGIOSELECTIVE METAL CATALYZED SYNTHESIS OF ANNELATED BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI SA (FR) 2011-12-21 EP claimed
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2010-08-26 US claimed
US-20100168429-A1 Transition metal catalyzed synthesis of N-aminoindoles SANOFI-AVENTIS (FR) 2010-07-01 US claimed
EP-2173716-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES Sanofi-Aventis (FR) 2010-04-14 EP claimed
EP-2134682-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES Sanofi-Aventis (FR) 2009-12-23 EP claimed
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles SANOFI-AVENTIS (FR) 2009-08-13 US claimed
EP-2044033-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES Sanofi-Aventis (FR) 2009-04-08 EP claimed
WO-2009003590-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI-AVENTIS (FR) 2009-01-08 WO claimed
WO-2008125207-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES SANOFI-AVENTIS (FR) 2008-10-23 WO claimed
WO-2008009348-A1 A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES SANOFI-AVENTIS (FR) 2008-01-24 WO claimed
EP-1878724-A1 A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles sanofi-aventis (FR) 2008-01-16 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100168429-A1 Transition metal catalyzed synthesis of N-aminoindoles NAT1, H1-3, H1-2 ALDH1A1 537/4885HBB 4618/4885HSD17B10 1856/4885
US-20090203912-A1 Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles DDT, NIT2, PADI1 ALDH1A1 182/4885HBB 4206/4885HSD17B10 1642/4885
US-20100216988-A1 Regioselective metal catalyzed synthesis of annelated benzimidazoles and azabenzimidazoles AZI2, NIT2, NISCH ALDH1A1 107/4885HBB 3459/4885HSD17B10 2068/4885

“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.