SCHEMBL5076474

SCHEMBL5076474

Cl[Ni]Cl.PC(CCc1ccccc1)c1ccccc1.PC(CCc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
KCNH2 Q12809 3/20 0.42
SIGMAR1 Q99720 2/20 0.40
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 2/20 0.38
ANPEP P15144 2/20 0.37
ERAP1 Q9NZ08 2/20 0.37
ERAP2 Q6P179 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL222542 1.00 ACP3 (0.47) ACP3KCNH2SIGMAR1SLC6A4SLC6A2
SCHEMBL197100 0.92 ACP3 (0.48) ACP3KCNH2SIGMAR1SLC6A4SLC6A2
SCHEMBL9132059 0.90 ACP3 (0.44) ACP3KCNH2SIGMAR1SLC6A4SLC6A2
SCHEMBL1398395 0.90 ACP3 (0.47) ACP3KCNH2SIGMAR1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL7165416 0.90 ACP3 (0.47) ACP3KCNH2SIGMAR1SLC6A4SLC6A2
SCHEMBL7769635 0.90 ACP3 (0.47) ACP3KCNH2SIGMAR1SLC6A4SLC6A2
Bromide SCHEMBL5510650 0.88 ACP3 (0.46) ACP3KCNH2SIGMAR1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL15412907 0.88 ACP3 (0.46) ACP3KCNH2SIGMAR1SLC6A4SLC6A2
SCHEMBL197085 0.80 KCNH2 (0.50) KCNH2SIGMAR1SLC6A4SLC6A2SLC6A3
SCHEMBL15288212 0.78 SIGMAR1 (0.49) KCNH2SIGMAR1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7048292-A None JP disclosed
EP-1572606-A4 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENT CO (US) 2008-07-09 EP disclosed
US-7205427-B2 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes BOULDER SCIENTIFIC COMPANY (US) 2007-04-17 US disclosed
EP-1572606-A2 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2005-09-14 EP disclosed
US-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes ANTARES CAPITAL LP, AS AGENT 2004-12-30 US disclosed
WO-2003101601-A2 CROSS-COUPLING SYNTHESIS OF ALKYL (DIALKYLPHENYL) INDENES BOULDER SCIENTIFIC COMPANY (US) 2003-12-11 WO disclosed
EP-0637580-B1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0535635-B1 Tolane derivative, liquid crystal composition containing the derivative, and liquid crystal display device using the composition SEIKO EPSON CORP (JP) 1996-08-21 EP disclosed
US-5437815-A Blending with ordinary liquid crystal compounds broadens practical temperature range of composition and produces an enlarged double refraction anisotropy SEIKO EPSON CORPORATION (JP) 1995-08-01 US disclosed
JP-H0748292-A PRODUCTION OF 4-PHENYL-1-BUTENE SUMITOMO CHEM CO LTD 1995-02-21 JP disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed
US-5314976-A Heterocyclic polymers NATIONAL SCIENCE COUNCIL (TW) 1994-05-24 US disclosed
US-5272234-A Photo-responsive conductive polymers and the processes of making the same NATIONAL SCIENCE COUNCIL (TW) 1993-12-21 US disclosed
EP-0535635-A1 Tolane derivative, liquid crystal composition containing the derivative, and liquid crystal display device using the composition SEIKO EPSON CORPORATION (JP) 1993-04-07 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-20040267072-A1 Cross-coupling synthesis of alkyl (dialkylphenyl) indenes DDT, DUOX2, DYRK4 ACP3 2364/4885KCNH2 682/4885SIGMAR1 4528/4885

“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.