SCHEMBL4989852

SCHEMBL4989852

C/C=C\C1C(C(=O)OC2CCCCC2)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
CYP2C19 P33261 1/20 0.35
NAAA Q02083 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SRD5A2 P31213 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP19A1 P11511 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4989860 1.00 EPHX1 (0.37) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL1150121 0.87 EPHX1 (0.39) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL1150124 0.87 EPHX1 (0.39) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL1150119 0.87 EPHX1 (0.39) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL22931823 0.83 HPGD (0.46) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL299035 0.83 LMNA (0.54) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL295097 0.83 HPGD (0.46) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL1072710 0.81 EPHX1 (0.36) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL1073550 0.81 EPHX1 (0.36) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL1073548 0.81 EPHX1 (0.36) EPHX1CYP2C19NAAALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1681282-B1 METHOD FOR PRODUCING 3,3-DIMETHYL-2-(1-PROPENYL) CYCLOPROPANE CARBOXYLATE SUMITOMO CHEMICAL CO (JP) 2013-01-23 EP disclosed
US-7393971-B2 Method for producing 3,3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-01 US disclosed
US-20070078278-A1 Method for producing 3, 3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2007-04-05 US disclosed
EP-1681282-A1 METHOD FOR PRODUCING 3,3-DIMETHYL-2-(1-PROPENYL) CYCLOPROPANE CARBOXYLATE Sumitomo Chemical Company, Limited (JP) 2006-07-19 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-20070078278-A1 Method for producing 3, 3-dimethyl-2-(1-propenyl) cyclopropanecarboxylate AOC3, PDXK, AIPL1 EPHX1 1101/4885CYP2C19 298/4885NAAA 398/4885

“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.