SCHEMBL301069

SCHEMBL301069

c1ccc(P(c2ccccc2)C2CCCCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
IDO1 P14902 2/20 0.34
SLC18A3 Q16572 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ROCK2 O75116 1/20 0.34
HSP90AA1 P07900 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
RAB9A P51151 1/20 0.32
CHRNB2 P17787 1/20 0.32

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
SCHEMBL13456274 1.00 CYP3A4 (0.38) CYP3A4TDP1GAAPOLBIDO1
SCHEMBL301035 1.00 CYP3A4 (0.38) CYP3A4TDP1GAAPOLBIDO1
SCHEMBL34871 1.00 CYP3A4 (0.38) CYP3A4TDP1GAAPOLBIDO1
SCHEMBL9202452 0.98 CYP3A4 (0.36) CYP3A4TDP1GAAPOLBIDO1
Hydrochloric Acid SCHEMBL1582526 0.98 IDO1 (0.36) CYP3A4TDP1GAAPOLBIDO1
SCHEMBL32681735 0.98 CYP3A4 (0.36) CYP3A4TDP1GAAPOLBIDO1
SCHEMBL9634685 0.98 CYP3A4 (0.36) CYP3A4TDP1GAAPOLBIDO1
Hydrochloric Acid SCHEMBL1582528 0.98 IDO1 (0.36) CYP3A4TDP1GAAPOLBIDO1
Hydrochloric Acid SCHEMBL28452606 0.98 IDO1 (0.36) CYP3A4TDP1GAAPOLBIDO1
Phosphine SCHEMBL28863563 0.98 CYP3A4 (0.36) CYP3A4TDP1GAAPOLBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018152-B2 Polybutadiene composition and method for producing same ENEOS MATERIALS CORPORATION (JP) 2024-06-25 US disclosed
EP-3896100-B1 POLYBUTADIENE COMPOSITION AND METHOD FOR PRODUCING SAME ENEOS MAT CORPORATION (JP) 2023-06-21 EP disclosed
US-20220002524-A1 POLYBUTADIENE COMPOSITION AND METHOD FOR PRODUCING SAME JSR CORPORATION (JP) 2022-01-06 US disclosed
EP-3896100-A1 POLYBUTADIENE COMPOSITION AND METHOD FOR PRODUCING SAME JSR Corporation (JP) 2021-10-20 EP disclosed
CN-113056494-A Polybutadiene composition and method for producing same JSR株式会社 2021-06-29 CN disclosed
WO-2020122108-A1 POLYBUTADIENE COMPOSITION AND METHOD FOR PRODUCING SAME JSR株式会社 2020-06-18 WO 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-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
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
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
EP-1535931-B1 PROCESS FOR PRODUCING CRYSTALLINE 1,2-POLYBUTADIENE JSR CORP (JP) 2011-04-20 EP disclosed
US-7009013-B2 Process for producing crystalline 1,2-polybutadiene JSR CORPORATION (JP) 2006-03-07 US disclosed
US-20050239982-A1 Process for producing crystalline 1,2-polybutadiene JSR CORPORATION (JP) 2005-10-27 US disclosed
EP-1535931-A1 PROCESS FOR PRODUCING CRYSTALLINE 1,2-POLYBUTADIENE JSR Corporation (JP) 2005-06-01 EP 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-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

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-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 CYP3A4 47/4885TDP1 1180/4885GAA 460/4885

“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.