SCHEMBL301275

SCHEMBL301275

Pc1cccc(C2CCCC2)c1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
CEL P19835 2/20 0.35
ABCB1 P08183 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.33
PTGS2 P35354 1/20 0.33
HTR2C P28335 2/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
HDAC4 P56524 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL301130 0.98 HTR1A (0.38) HTR1AHTR7CELABCB1PTGDR2
SCHEMBL260121 0.98 HTR1A (0.38) HTR1AHTR7CELABCB1PTGDR2
SCHEMBL301162 0.98 HTR1A (0.38) HTR1AHTR7CELABCB1PTGDR2
SCHEMBL9634731 0.96 HTR1A (0.37) HTR1AHTR7CELABCB1PTGDR2
SCHEMBL301092 0.96 HTR1A (0.36) HTR1AHTR7CELABCB1PTGDR2
SCHEMBL301197 0.91 HTR2C (0.33) HTR1AHTR7ABCB1HTR2CCHRNB2
SCHEMBL777873 0.84 CEL (0.41) HTR1AHTR7CELABCB1PTGDR2
SCHEMBL6882441 0.83 CEL (0.38) HTR1AHTR7CELABCB1PTGDR2
SCHEMBL239469 0.82 ABCB1 (0.43) HTR1AHTR7CELABCB1PTGDR2
SCHEMBL8754990 0.82 PTGS2 (0.43) HTR1AHTR7CELPTGDR2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2610248-B1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND TEIJIN PHARMA LTD (JP) 2016-06-08 EP disclosed
US-9243098-B2 Compound, polymer, cross-linked compound of polymer, and optical element including cross-linked compound CANON KABUSHIKI KAISHA (JP) 2016-01-26 US disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
US-20140163175-A1 NOVEL COMPOUND, POLYMER, CROSS-LINKED COMPOUND OF POLYMER, AND OPTICAL ELEMENT INCLUDING CROSS-LINKED COMPOUND CANON KABUSHIKI KAISHA (JP) 2014-06-12 US disclosed
EP-2610248-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING A PALLADIUM COMPOUND Teijin Pharma Limited (JP) 2013-07-03 EP disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
WO-2013018817-A1 NOVEL COMPOUND, POLYMER, CROSS-LINKED COMPOUND OF POLYMER, AND OPTICAL ELEMENT INCLUDING CROSS-LINKED COMPOUND CANON KABUSHIKI KAISHA (JP) 2013-02-07 WO disclosed
EP-2404908-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST Teijin Pharma Limited (JP) 2012-01-11 EP disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 US disclosed
WO-2007035540-A2 PROCESS FOR THE MONOSULFONATION OF AROMATIC PHOSPHINES, AND ZWITTERIONIC PRODUCT DERIVED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2007-03-29 WO disclosed
EP-0927577-B1 Ruthenium metathesis catalyst and method for olefin metathesis using the same TAKASAGO PERFUMERY CO LTD (JP) 2004-06-23 EP disclosed
US-6313365-B1 Ruthenium metathesis catalyst and method for producing olefin reaction product by metathesis reaction using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-06 US disclosed
US-6175047-B1 A CATALYST MIXTURE INCLUDING A RUTHENIUM COMPOUND, A DIHALOGENO COMPOUND, A TERMINAL ALKYNE; AS A CATALYST FOR A CARBON-CARBON BOND FORMATION REACTION TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-01-16 US disclosed
EP-0696474-B1 Catalytic systems and methods for carbonylation DAICEL CHEM (JP) 2000-05-17 EP disclosed
EP-0948999-A1 Catalytic systems and method for carbonylation DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-13 EP disclosed
EP-0927577-A1 Ruthenium metathesis catalyst and method for producing olefin reaction product by metathesis reaction using the same Takasago International Corporation (JP) 1999-07-07 EP disclosed
US-5869738-A OF AN OLEFIN WITH CARBON MONOXIDE PRODUCING AN ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-09 US disclosed
US-5731255-A GROUP VIII METAL SOURCE, LIGAND, ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed
EP-0696474-A2 Catalytic systems and methods for carbonylation DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-14 EP 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 (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-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 HTR1A 2933/4885HTR7 3206/4885CEL 1595/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH HTR1A 2714/4885HTR7 3002/4885CEL 1357/4885
US-20140163175-A1 NOVEL COMPOUND, POLYMER, CROSS-LINKED COMPOUND OF POLYMER, AND OPTICAL ELEMENT INCLUDING CROSS-LINKED COMPOUND PCLAF, PCNA, SMC2 HTR1A 3771/4885HTR7 3449/4885CEL 2728/4885

“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.