SCHEMBL5160159

SCHEMBL5160159

CCCCC(CC)(CO)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
EPHX1 P07099 7/20 0.37
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTR1A P08908 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33
POLA1 P09884 1/20 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
SCHEMBL28860642 0.92 EPHX1 (0.39) CYP4F2CYP4A11EPHX1KMT2AL3MBTL1
SCHEMBL28936386 0.90 CYP4F2 (0.48) CYP4F2CYP4A11EPHX1KMT2AL3MBTL1
SCHEMBL18597562 0.88 CYP4F2 (0.39) CYP4F2CYP4A11LMNAPOLB
SCHEMBL25423570 0.87 EPHX1 (0.44) CYP4F2CYP4A11EPHX1KMT2AL3MBTL1
SCHEMBL15295458 0.86 CYP4F2 (0.42) CYP4F2CYP4A11EPHX1KMT2AL3MBTL1
SCHEMBL28730000 0.86 EPHX1 (0.43) CYP4F2CYP4A11EPHX1KMT2AL3MBTL1
SCHEMBL10939472 0.85 EPHX1 (0.46) CYP4F2CYP4A11EPHX1KMT2AL3MBTL1
SCHEMBL5161537 0.84 CA2 (0.62) CYP4F2CYP4A11L3MBTL1ATMUSP2
SCHEMBL28162334 0.84 EPHX1 (0.42) CYP4F2CYP4A11EPHX1KMT2AL3MBTL1
Ammonia Solution, Strong SCHEMBL2538947 0.84 EPHX1 (0.42) CYP4F2CYP4A11EPHX1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287210-A1 MARINE-BIODEGRADATION ACCELERATOR NISSHINBO HOLDINGS INC. (JP) 2023-09-14 US disclosed
US-7268253-B2 Process for preparing α, α-dialkyl-α-hydroxymethyl-carboxylic acid derivatives CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2007-09-11 US disclosed
EP-1666447-B1 Process for the preparation of alpha, alpha-dialkyl, alpha-hydroxymethyl-carboxylic acid derivatives CONSORTIUM ELEKTROCHEM IND (DE) 2007-02-14 EP disclosed
US-20060122424-A1 Process for preparing alpha, alpha-dialkyl-alpha-hydroxymethyl-carboxylic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (US) 2006-06-08 US disclosed
EP-1666447-A1 Process for the preparation of alpha, alpha-dialkyl, alpha-hydroxymethyl-carboxylic acid derivatives Consortium für elektrochemische Industrie GmbH (DE) 2006-06-07 EP disclosed
EP-1578714-A1 NOVEL CHIRAL COMPOUNDS DERIVED FROM HEXANOIC ACID ESTERS, METHOD AND INTERMEDIATE CHEMICALS FOR THE PREPARATION AND USE THEREOF FOR SYNTHESIS OF 2-(BROMOMETHYL)2-ETHYL HEXANOIC CHIRAL ACID Aventis Pharma S.A. (FR) 2005-09-28 EP disclosed
WO-2004058678-A1 NOVEL CHIRAL COMPOUNDS DERIVED FROM HEXANOIC ACID ESTERS, METHOD AND INTERMEDIATE CHEMICALS FOR THE PREPARATION AND USE THEREOF FOR SYNTHESIS OF 2-(BROMOMETHYL)2-ETHYL HEXANOIC CHIRAL ACID AVENTIS PHARMA S.A (FR) 2004-07-15 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-20060122424-A1 Process for preparing alpha, alpha-dialkyl-alpha-hydroxymethyl-carboxylic acid derivatives DDC, ADH1C, MCCC2 CYP4F2 856/4885CYP4A11 658/4885EPHX1 1022/4885

“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.