SCHEMBL7872973

SCHEMBL7872973

O=COc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA12 O43570 1/20 0.39
MAPT P10636 2/20 0.37
LDHA P00338 1/20 0.36
CYP2A6 P11509 1/20 0.36
ALOX5 P09917 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
DRD1 P21728 1/20 0.34
LTA4H P09960 1/20 0.34
MCL1 Q07820 3/20 0.34
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL97752 0.93 CA1 (0.43) MAPK1ALDH1A1CA2CA9CA1
SCHEMBL17297207 0.88 DRD1 (0.40) MAPK1ALDH1A1CA2CA9CA1
SCHEMBL6454577 0.80 ALDH1A1 (0.38) ALDH1A1CA2CA9CA1CA12
SCHEMBL1262464 0.79 CA1 (0.47) MAPK1ALDH1A1CA2CA9CA1
SCHEMBL2612608 0.77 ESR2 (0.52) ALOX5MEN1KMT2ALTA4H
SCHEMBL7877356 0.77 CA1 (0.39) CA2CA9CA1DRD1
SCHEMBL7880583 0.77 BCL2L1 (0.40) ALDH1A1ALOX5LMNARAB9AKMT2A
SCHEMBL7881612 0.77 CYP1A2 (0.42) CA2CA9CA1CYP2A6ALOX5
SCHEMBL14284922 0.77 ALDH1A1 (0.52) MAPK1ALDH1A1CA2CA9CA1
SCHEMBL4570686 0.77 ACHE (0.42) CA2CA9CA1CYP2A6ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9318706-B2 Laminated structure, method for producing same, and electronic element comprising same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-21 US disclosed
US-6333441-B1 FORMING MIXTURE COMPRISING FORMIC ACID, TRIETHYLAMINE, TRIBUTYLPHOSPHINE, AND TRIS(DIBENZYLIDENEACETONE) DIPALLADIUM (0)-CHLOROFORM ADDUCT IN SOLVENT, ADDING THERETO ALKYNE UNDER EFFECTIVE REDUCTION CONDITIONS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-25 US disclosed
EP-0560532-B1 Preparation of cis-olefins NISSAN CHEMICAL IND LTD (JP) 1999-08-04 EP disclosed
EP-0560532-A1 Preparation of cis-olefins NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-09-15 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-20110177312-A1 LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME EPCAM, ITGA1, ITGB1 MAPK1 1380/4885ALDH1A1 618/4885CA2 1375/4885

“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.