SCHEMBL301537

SCHEMBL301537

c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc3ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
WDR5 P61964 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP2A6 P11509 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
HPRT1 P00492 1/20 0.33
DNMT1 P26358 1/20 0.32
BACE1 P56817 1/20 0.31
SOS1 Q07889 1/20 0.31
GSTP1 P09211 1/20 0.31
HPGD P15428 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL1305102 0.95 MAPT (0.40) MAPTWDR5ALDH1A1HSD17B10CYP2A6
SCHEMBL146878 0.89 ALDH1A1 (0.44) MAPTWDR5ALDH1A1HSD17B10CYP2A6
SCHEMBL10323632 0.89 ALDH1A1 (0.44) MAPTWDR5ALDH1A1HSD17B10CYP2A6
SCHEMBL5107 0.89 ALDH1A1 (0.44) MAPTWDR5ALDH1A1HSD17B10CYP2A6
SCHEMBL29350037 0.89 ALDH1A1 (0.44) MAPTWDR5ALDH1A1HSD17B10CYP2A6
SCHEMBL29496111 0.89 ALDH1A1 (0.44) MAPTWDR5ALDH1A1HSD17B10CYP2A6
SCHEMBL729691 0.88 ALDH1A1 (0.42) MAPTWDR5ALDH1A1HSD17B10CYP2A6
SCHEMBL3416712 0.88 ALDH1A1 (0.42) MAPTWDR5ALDH1A1HSD17B10CYP2A6
SCHEMBL5149451 0.88 ALDH1A1 (0.42) MAPTWDR5ALDH1A1HSD17B10CYP2A6
Phosphine SCHEMBL8373615 0.88 ALDH1A1 (0.42) MAPTWDR5ALDH1A1HSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481618-B2 Cyclopolyarylene compound and method of manufacturing same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-11-01 US disclosed
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-9266909-B2 Cyclic compound containing functional group or containing no functional group, and method for producing same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-02-23 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-20140066661-A1 CYCLOPOLYARYLENE COMPOUND AND METHOD OF MANUFACTURING SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-03-06 US disclosed
US-20130324768-A1 CARBON NANORING AND METHOD FOR PRODUCING A RING-SHAPED COMPOUND SUITABLE AS A STARTING MATERIAL FOR PRODUCTION OF THE SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-12-05 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
EP-1650185-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE BETA-HYDROXY- ALPHA-AMINOCARBOXYLIC ACID DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2013-05-01 EP disclosed
EP-2546219-A1 CARBON NANORING AND METHOD FOR PRODUCING A RING-SHAPED COMPOUND SUITABLE AS A STARTING MATERIAL FOR PRODUCTION OF THE SAME National University Corporation Nagoya University (JP) 2013-01-16 EP 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
US-7799941-B2 Process for producing optically active β-hydroxy-α-aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-21 US disclosed
US-20060167300-A1 Process for producing optically active ss-hydroxy alpha aminocarboxylic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-07-27 US disclosed
EP-1650185-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE BETA-HYDROXY- ALPHA-AMINOCARBOXYLIC ACID DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2006-04-26 EP disclosed
EP-0754696-B1 Unsymmetric diphosphine monoxide compounds and a process for preparing diphosphine compounds TAKASAGO PERFUMERY CO LTD (JP) 2002-01-16 EP disclosed
US-5808162-A Chiral unsymmetric diphosphine compound and transition metal complex containing the same as ligand TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-09-15 US disclosed
EP-0754696-A1 Chiral unsymmetric diphosphine compounds and transition metal complexes containing them as ligands Takasago International Corporation (JP) 1997-01-22 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 (5 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-20140066661-A1 CYCLOPOLYARYLENE COMPOUND AND METHOD OF MANUFACTURING SAME CYP1B1, CYP51A1, CYP1A1 MAPT 2717/4885WDR5 3786/4885ALDH1A1 166/4885
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 MAPT 1383/4885WDR5 3503/4885ALDH1A1 308/4885
US-20130324768-A1 CARBON NANORING AND METHOD FOR PRODUCING A RING-SHAPED COMPOUND SUITABLE AS A STARTING MATERIAL FOR PRODUCTION OF THE SAME CBR1, CBR3, CYC1 MAPT 3541/4885WDR5 1177/4885ALDH1A1 2151/4885
US-20060167300-A1 Process for producing optically active ss-hydroxy alpha aminocarboxylic acid derivative ALDH7A1, HCAR1, ALAD MAPT 4779/4885WDR5 1891/4885ALDH1A1 109/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH MAPT 3151/4885WDR5 3501/4885ALDH1A1 150/4885

“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.