SCHEMBL1248431

SCHEMBL1248431

CCP(c1ccccc1)c1ccccc1.CCP(c1ccccc1)c1ccccc1.Cl[Pd]Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.36
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
KCNN4 O15554 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSIP1 O75475 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
SCHEMBL3397431 1.00 CYP3A4 (0.39) CYP3A4TDP1TP53ESR1ESR2
SCHEMBL34614 0.92 CYP3A4 (0.45) CYP3A4TDP1TP53ESR1ESR2
SCHEMBL28509714 0.90 CYP3A4 (0.39) CYP3A4TDP1TP53ESR1ESR2
SCHEMBL5076037 0.90 CYP3A4 (0.39) CYP3A4TDP1TP53ESR1ESR2
SCHEMBL27863771 0.90 CYP3A4 (0.39) CYP3A4TDP1TP53ESR1ESR2
Chloromethane SCHEMBL7930183 0.90 CYP3A4 (0.39) CYP3A4TDP1TP53ESR1ESR2
SCHEMBL28811253 0.90 CYP3A4 (0.39) CYP3A4TDP1TP53ESR1ESR2
Hydrogen Sulfide SCHEMBL8154468 0.90 TDP1 (0.43) CYP3A4TDP1TP53ESR1ESR2
Hydrochloric Acid SCHEMBL11570696 0.90 CYP3A4 (0.43) CYP3A4TDP1TP53ESR1ESR2
SCHEMBL3749691 0.90 CYP3A4 (0.43) CYP3A4TDP1TP53ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
EP-2310446-A1 ACTIVATED HALO-CONTAINING ARALKYLSILANE Momentive Performance Materials Inc. (US) 2011-04-20 EP disclosed
EP-1544187-B1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHODS FOR PRODUCING LIQUID CRYSTAL COMPOUNDS USING SAME DAINIPPON INK & CHEMICALS (JP) 2011-02-16 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
WO-2010017370-A1 ACTIVATED HALO-CONTAINING ARALKYLSILANE MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2010-02-11 WO disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 US disclosed
US-7214835-B2 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK & CHEMICALS, INC. (JP) 2007-05-08 US disclosed
EP-1718629-A2 BENZOPYRAN COMPOUNDS USEFUL FOR THE TREATMENT OF ARRHYTMIA Nissan Chemical Industries, Ltd. (JP) 2006-11-08 EP disclosed
US-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
WO-2005080368-A2 BENZOPYRAN COMPOUND USEFUL FOR THE TREATMENT OF ARRHYTMIA NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-01 WO disclosed
EP-1544187-A1 1,7,8-TRIFLUORONAPHTHALENE-2-NAPHTHOL, AND METHOD FOR PRODUCING LIQUID CRYSTAL COMPOUND USING SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-06-22 EP disclosed
EP-0811629-B1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL IND LTD (JP) 2003-05-02 EP disclosed
US-5880301-A CATALYSTS FOR PREPARATION OF OPTICALLY ACTIVE BETA-HYDROXYKETONES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0811629-A1 OPTICALLY ACTIVE BIDENTATE PHOSPHINE LIGAND/PALLADIUM COMPLEX NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-12-10 EP disclosed
US-4092171-A CHEMICAL SENSITIZERS FOR SILVER HALIDE EMULSIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-05-30 US 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 (2 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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 CYP3A4 224/4885TDP1 4487/4885TP53 4824/4885
US-20060163537-A1 1,7,8-Trifluoronaphthalene-2-naphthol, and method for producing liquid crystal compound using same NOC2L, SNX2, NEFM CYP3A4 286/4885TDP1 1093/4885TP53 2047/4885

“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.