SCHEMBL3247166

SCHEMBL3247166

CCCC/C=C/c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.54
KDM4E B2RXH2 3/20 0.52
CYP3A4 P08684 2/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TRPA1 O75762 1/20 0.50
RELA Q04206 1/20 0.50
CYP1A2 P05177 3/20 0.48
CYP1A1 P04798 3/20 0.48
CYP1B1 Q16678 3/20 0.48
ESR1 P03372 2/20 0.48
PTGS2 P35354 2/20 0.48
ABL1 P00519 1/20 0.48
TTR P02766 1/20 0.48
ABCB1 P08183 1/20 0.48
ALOX5 P09917 1/20 0.48
BCR P11274 1/20 0.48
CYP19A1 P11511 1/20 0.48

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
SCHEMBL3247170 1.00 AHR (0.54) AHRKDM4ECYP3A4LMNATP53
SCHEMBL6435102 0.95 AHR (0.53) AHRKDM4ECYP3A4LMNATP53
SCHEMBL6434844 0.95 AHR (0.53) AHRKDM4ECYP3A4LMNATP53
SCHEMBL6434839 0.95 AHR (0.53) AHRKDM4ECYP3A4LMNATP53
SCHEMBL17682006 0.93 CNR1 (0.54) AHRKDM4ECYP3A4LMNATP53
SCHEMBL2005561 0.93 CNR1 (0.54) AHRKDM4ECYP3A4LMNATP53
SCHEMBL19452377 0.93 CNR1 (0.54) AHRKDM4ECYP3A4LMNATP53
SCHEMBL15688436 0.93 CNR1 (0.54) AHRKDM4ECYP3A4LMNATP53
SCHEMBL2005564 0.93 CNR1 (0.54) AHRKDM4ECYP3A4LMNATP53
SCHEMBL19667752 0.93 CNR1 (0.54) AHRKDM4ECYP3A4LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014073003-A1 SINGLE-STEP PROCESS FOR THE PREPARATION OF ARYL OLEFINS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-15 WO claimed
WO-2014073003-A1 SINGLE-STEP PROCESS FOR THE PREPARATION OF ARYL OLEFINS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-15 WO disclosed
WO-2014073003-A1 SINGLE-STEP PROCESS FOR THE PREPARATION OF ARYL OLEFINS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-05-15 WO disclosed
EP-1799627-B1 IRON OR COBALT-CATALYZED CARBON-CARBON COUPLING REACTION OF ARYLS, ALKENES AND ALKINES WITH COPPER REAGENTS SALTIGO GMBH (DE) 2010-05-05 EP disclosed
EP-1799627-B1 IRON OR COBALT-CATALYZED CARBON-CARBON COUPLING REACTION OF ARYLS, ALKENES AND ALKINES WITH COPPER REAGENTS SALTIGO GMBH (DE) 2010-05-05 EP disclosed
US-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SALTIGO GMBH (DE) 2008-10-30 US disclosed
US-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SALTIGO GMBH (DE) 2008-10-30 US disclosed
US-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SALTIGO GMBH (DE) 2008-10-30 US disclosed
EP-1453913-A4 NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF ANTEX PHARMA INC (US) 2006-04-05 EP disclosed
EP-1453913-A2 NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF Antex Pharma, Inc. (US) 2004-09-08 EP disclosed
WO-2003062443-A2 NOVEL SUBSTITUTED ALKANE COMPOUNDS AND USES THEREOF ANTEX PHARMA, INC. (US) 2003-07-31 WO disclosed
EP-0532621-A1 AMIDE LINKED PYRIDYLE-BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
WO-1991018883-A1 AMIDE LINKED PYRIDYLE-BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 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-20080269514-A1 Iron or Cobalt-Catalyzed Carbon-Carbon Coupling Reaction of Aryls, Alkenes and Alkines With Copper Reagents SLC39A14, MAL2, AHR AHR 3/4885KDM4E 2249/4885CYP3A4 196/4885

“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.