SCHEMBL1875945

SCHEMBL1875945

CCO/C=C/C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.38
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A2 P23975 1/20 0.35
TBXAS1 P24557 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
PDE4D Q08499 1/20 0.35
KCNH2 Q12809 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL1875946 1.00 CASP1 (0.38) CASP1LMNAHTTNR1I2PGR
SCHEMBL29188015 0.84 HCAR2 (0.37) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL1883790 0.81 ATM (0.46) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL1366125 0.77 HCAR2 (0.59) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL1366123 0.77 HCAR2 (0.59) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL43004 0.77 HCAR2 (0.45) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL43764 0.77 HCAR2 (0.45) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL375029 0.77 HCAR2 (0.45) LMNAHTTNR1I2PGRCYP3A4
SCHEMBL1884637 0.76
SCHEMBL1884639 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666440-B1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-01-22 EP disclosed
US-7939674-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-10 US disclosed
US-7700642-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-20 US disclosed
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
EP-1666440-A1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-06-07 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 (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-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound AHR, AR, ARSA CASP1 214/4885LMNA 788/4885HTT 2576/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA CASP1 214/4885LMNA 788/4885HTT 2576/4885

“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.