SCHEMBL4787125

SCHEMBL4787125

C=CCOC(=O)C=C.C=CCOC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.47
HPGD P15428 1/20 0.45
ALDH1A1 P00352 7/20 0.45
CYP3A4 P08684 4/20 0.45
TP53 P04637 3/20 0.45
HIF1A Q16665 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 2/20 0.38
ALOX15 P16050 1/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
APP P05067 1/20 0.37
USP2 O75604 1/20 0.34
RECQL P46063 1/20 0.34

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
Acetic Acid SCHEMBL460344 0.89 TSHR (0.48) TSHRHPGDALDH1A1CYP3A4TP53
Methyl Alcohol SCHEMBL28080029 0.89 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL31217853 0.89 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4HSD17B10
SCHEMBL64376 0.89
SCHEMBL19273 0.89
SCHEMBL31267242 0.89 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5167665 0.89 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
Acetamide SCHEMBL27967080 0.87 MAPT (0.53) TSHRHPGDALDH1A1CYP3A4TP53
Chloromethane SCHEMBL28424741 0.86 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53
Propene SCHEMBL27446435 0.86 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4TP53

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-7432402-B2 Oxidation of hydrocarbons /with an oxidizing agent in the presence of titanium-containing molecular sieve catalyst SSZ-74 prepared using a hexamethylene-1,6-bis-(N-methyl N-pyrrolidinium) dication as a structure-directing agent, enhanced selectivity CHEVRON U.S.A. (US) 2008-10-07 US disclosed
US-20070149789-A1 Oxidation of hydrocarbons /with an oxidizing agent in the presence of titanium-containing molecular sieve catalyst SSZ-74 prepared using a hexamethylene-1,6-bis-(N-methyl N-pyrrolidinium) dication as a structure-directing agent, enhanced selectivity CHEVRON U.S.A. INC. 2007-06-28 US disclosed
US-4370426-A BUTADIENE-STYRENE COPOLYMER, FILTRATION RHONE-POULENC INDUSTRIES (FR) 1983-01-25 US disclosed
US-4298637-A IMPREGNATION OF SHEET WITH AQUEOUS LATEX, COMPRESSION, DRYING RHONE-POULENC INDUSTRIES (FR) 1981-11-03 US disclosed
US-4246309-A Tufted floor covering having binder with less than 0.5% water soluble compounds RHONE-POULENC INDUSTRIES (FR) 1981-01-20 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 (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-20070149789-A1 Oxidation of hydrocarbons /with an oxidizing agent in the presence of titanium-containing molecular sieve catalyst SSZ-74 prepared using a hexamethylene-1,6-bis-(N-methyl N-pyrrolidinium) dication as a structure-directing agent, enhanced selectivity PPOX, SRP72, SSU72 TSHR 3032/4885HPGD 1194/4885ALDH1A1 3539/4885

“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.