SCHEMBL4430256

SCHEMBL4430256

C=CCOC(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.57
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 2/20 0.56
EGFR P00533 1/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
JAK1 P23458 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HRH3 Q9Y5N1 2/20 0.50
TSHR P16473 1/20 0.50
CES2 O00748 1/20 0.50

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
SCHEMBL429872 0.93 CYP3A4 (0.55) CYP3A4ALDH1A1KDM4EMAPTKMT2A
SCHEMBL30107706 0.93 CYP3A4 (0.55) CYP3A4ALDH1A1KDM4EMAPTKMT2A
SCHEMBL17386426 0.92 CYP3A4 (0.53) CYP3A4ALDH1A1KDM4EMAPTKMT2A
SCHEMBL5135053 0.87 SNCA (0.49) CYP3A4ALDH1A1KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL9278114 0.86 SNCA (0.48) CYP3A4ALDH1A1KDM4EKMT2AHSD17B10
SCHEMBL9278105 0.86 SNCA (0.48) CYP3A4ALDH1A1KDM4EMAPTKMT2A
SCHEMBL18593579 0.86 CA12 (0.53) CYP3A4ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL4907430 0.86 SNCA (0.48) CYP3A4ALDH1A1KDM4EKMT2AHPGD
SCHEMBL11046516 0.86 PTPN11 (0.54) CYP3A4ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL28138625 0.86 SNCA (0.48) CYP3A4ALDH1A1KDM4EMAPTKMT2A

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-1791824-A1 RADICALLY POLYMERIZABLE SULFUR-CONTAINING COMPOUND AND RADICALLY POLYMERIZABLE SULFUR-CONTAINING POLYMER Showa Denko K.K. (JP) 2007-06-06 EP claimed
WO-2006033438-A1 RADICALLY POLYMERIZABLE SULFUR-CONTAINING COMPOUND AND RADICALLY POLYMERIZABLE SULFUR-CONTAINING POLYMER SHOWA DENKO K.K. (JP) 2006-03-30 WO claimed
EP-1328560-A2 PLASTIC LENS COMPOSITION, PLASTIC LENS, AND PROCESS FOR PRODUCING THE PLASTIC LENS Showa Denko K.K. (JP) 2003-07-23 EP claimed
WO-2002026843-A2 PLASTIC LENS COMPOSITION, PLASTIC LENS, AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K. K. (JP) 2002-04-04 WO claimed
EP-2094654-A1 RADICALLY POLYMERIZABLE COMPOUND HAVING A DITHIOCARBONATE STRUCTURE AND A SULFUR-CONTAINING ALLYLCARBONATE Showa Denko K.K. (JP) 2009-09-02 EP disclosed
WO-2008062903-A1 RADICALLY POLYMERIZABLE COMPOUND HAVING A DITHIOCARBONATE STRUCTURE AND A SULFUR-CONTAINING ALLYLCARBONATE SHOWA DENKO K.K. (JP) 2008-05-29 WO disclosed
EP-1791824-A1 RADICALLY POLYMERIZABLE SULFUR-CONTAINING COMPOUND AND RADICALLY POLYMERIZABLE SULFUR-CONTAINING POLYMER Showa Denko K.K. (JP) 2007-06-06 EP disclosed
WO-2006033438-A1 RADICALLY POLYMERIZABLE SULFUR-CONTAINING COMPOUND AND RADICALLY POLYMERIZABLE SULFUR-CONTAINING POLYMER SHOWA DENKO K.K. (JP) 2006-03-30 WO disclosed
US-6846900-B2 POLYVALENT CARBOXYLIC ACID ESTER, PROCESS FOR PRODUCING THE CARBOXYLIC ACID ESTER, PLASTIC LENS COMPOSITION USING THE CARBOXYLIC ESTER, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K.K. (JP) 2005-01-25 US disclosed
US-20030208019-A1 Plastic lens composition, plastic lens, and process for producing the plastic lens SHOWA DENKO K.K. (JP) 2003-11-06 US disclosed
US-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions SHOW A DENKO K.K. (JP) 2003-07-31 US disclosed
EP-1328560-A2 PLASTIC LENS COMPOSITION, PLASTIC LENS, AND PROCESS FOR PRODUCING THE PLASTIC LENS Showa Denko K.K. (JP) 2003-07-23 EP disclosed
WO-2002079140-A1 NOVEL POLYVALENT CARBOXYLIC ACID ESTERS AND THEIR USE IN PLASTIC LENS COMPOSITIONS SHOWA DENKO K. K. (JP) 2002-10-10 WO disclosed
WO-2002072651-A1 PLASTIC LENS COMPOSITION, PLASTIC LENS, AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K. K. (JP) 2002-09-19 WO disclosed
WO-2002026843-A2 PLASTIC LENS COMPOSITION, PLASTIC LENS, AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K. K. (JP) 2002-04-04 WO 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-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions VCL, VIM, CRYAA CYP3A4 1715/4885ALDH1A1 1516/4885KDM4E 204/4885

“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.