SCHEMBL2127188

SCHEMBL2127188

CC1(C)C(CO)C1C(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
NAAA Q02083 2/20 0.41
EPHX1 P07099 2/20 0.41
HTT P42858 3/20 0.37
ALDH1A1 P00352 4/20 0.34
TSHR P16473 3/20 0.34
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 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
SCHEMBL1150571 0.81 NAAA (0.38) CYP2C19NAAAEPHX1HTTALDH1A1
SCHEMBL295529 0.81 NAAA (0.38) CYP2C19NAAAEPHX1HTTALDH1A1
SCHEMBL20815369 0.79 NAAA (0.42) CYP2C19NAAAEPHX1HTTALDH1A1
SCHEMBL20815368 0.77 NAAA (0.47) CYP2C19NAAAEPHX1HTTALDH1A1
SCHEMBL1149836 0.76 POLA1 (0.35) HTTLMNA
SCHEMBL1150587 0.76 POLA1 (0.35) HTTLMNA
SCHEMBL1149832 0.76 POLA1 (0.35) HTTLMNA
SCHEMBL1149830 0.76 POLA1 (0.35) HTTLMNA
SCHEMBL1150584 0.76 POLA1 (0.35) HTTLMNA
SCHEMBL6441315 0.76 FABP7 (0.42) CYP2C19NAAAEPHX1HTTALDH1A1

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-1535895-B1 PROCESS FOR PRODUCTION OF FORMYLCYCLOPROPANECARBOXYLIC ESTERS SUMITOMO CHEMICAL CO (JP) 2012-04-25 EP disclosed
CN-100341842-C Process for production of formylcyclopropanecarboxylic ester compound SUMITOMO CHEMICAL CO (JP) 2007-10-10 CN disclosed
US-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids SUMITOMO CHEMICAL COMPAY LIMTED (JP) 2005-12-29 US disclosed
US-20050240050-A1 Process for production of formylcyclopropanecarboxylic ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-10-27 US disclosed
EP-1538141-A1 PROCESS FOR PRODUCTION OF 2-(HYDROXYMETHYL)CYCLO- PROPANECARBOXYLIC ACIDS Sumitomo Chemical Company, Limited (JP) 2005-06-08 EP disclosed
EP-1535895-A1 PROCESS FOR PRODUCTION OF FORMYLCYCLOPROPANECARBOXYLIC ESTERS Sumitomo Chemical Company, Limited (JP) 2005-06-01 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-20050288526-A1 Process for production of 2-(hydroxymethyl)cyclo-propanecarboxylic acids GRHPR, PCCA, C5 CYP2C19 160/4885NAAA 1503/4885EPHX1 1885/4885
US-20050240050-A1 Process for production of formylcyclopropanecarboxylic ester AHCYL1, HACL2, CBR1 CYP2C19 286/4885NAAA 306/4885EPHX1 663/4885

“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.