SCHEMBL1421691

SCHEMBL1421691

CCCOC(=O)C(C)CO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.35
ESR1 P03372 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 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
SCHEMBL4041677 0.86 ALDH1A1 (0.52) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL805650 0.83 HCAR2 (0.40) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL805664 0.83 HCAR2 (0.40) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL17617139 0.83 HCAR2 (0.40) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL6740314 0.82 ALDH1A1 (0.37) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL6739568 0.81 HCAR2 (0.39) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL3905507 0.81 ALDH1A1 (0.46) HCAR2ALDH1A1LMNATSHRESR1
SCHEMBL812706 0.80
SCHEMBL27823457 0.80
SCHEMBL765952 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046634-B2 High-purity carboxylic acid ester and method for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-06-29 US claimed
US-20180273465-A1 HIGH-PURITY CARBOXYLIC ACID ESTER AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-09-27 US claimed
CN-108137476-A High-purity carboxylate and its manufacturing method 三菱瓦斯化学株式会社 2018-06-08 CN claimed
US-11046634-B2 High-purity carboxylic acid ester and method for producing same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-06-29 US disclosed
US-20180273465-A1 HIGH-PURITY CARBOXYLIC ACID ESTER AND METHOD FOR PRODUCING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-09-27 US disclosed
US-20150044161-A1 MULTIFUNCTIONAL POLYMERS ISP INVESTMENTS INC. (US) 2015-02-12 US disclosed
EP-2235151-B1 Process for edible oil refining using a lipid acyltransferase DUPONT NUTRITION BIOSCI APS (DK) 2012-09-12 EP disclosed
EP-2296495-A2 A CHOLESTEROL REDUCED MEAT BASED FOOD PRODUCT Danisco A/S (DK) 2011-03-23 EP disclosed
EP-2235151-A2 PROCESS FOR EDIBLE OIL REFINING USING A LIPID ACYLTRANSFERASE Danisco A/S (DK) 2010-10-06 EP disclosed
WO-2009127969-A2 PROCESS DANISCO A/S (DK) 2009-10-22 WO disclosed
WO-2009081094-A2 PROCESS DANISCO A/S (DK) 2009-07-02 WO disclosed
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 US disclosed
EP-1289970-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 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 (4 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-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 HCAR2 2345/4885ALDH1A1 142/4885LMNA 4564/4885
US-20150044161-A1 MULTIFUNCTIONAL POLYMERS PUF60, PARG, PARN HCAR2 4575/4885ALDH1A1 3833/4885LMNA 3001/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 HCAR2 1423/4885ALDH1A1 171/4885LMNA 4573/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 HCAR2 704/4885ALDH1A1 15/4885LMNA 3218/4885

“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.