SCHEMBL905459

SCHEMBL905459

CCCC[C@@H](C)C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA1 P00915 4/20 0.42
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 4/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
CPB2 Q96IY4 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.35
SLC15A1 P46059 1/20 0.35

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
SCHEMBL7507908 1.00 CA2 (0.42) CA2CA1TSHRCYP3A4ATM
SCHEMBL28046958 0.94 CA1 (0.44) CA1ZDHHC7MAPTCPB2TP53
SCHEMBL7510756 0.92 ZDHHC7 (0.46) CA1ZDHHC7MAPTCPB2TP53
SCHEMBL18297029 0.92 ZDHHC7 (0.46) CA1ZDHHC7MAPTCPB2TP53
SCHEMBL7510923 0.92 ZDHHC7 (0.46) CA1ZDHHC7MAPTCPB2TP53
SCHEMBL4416129 0.87 ALDH1A1 (0.40) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL8009470 0.87 ALDH1A1 (0.40) TSHRCYP3A4TDP1ALDH1A1LMNA
SCHEMBL905440 0.87 ALDH1A1 (0.40) TSHRCYP3A4TDP1ALDH1A1LMNA
Malonic Acid SCHEMBL8372739 0.84 ZDHHC7 (0.44) ATMZDHHC7MAPTKMT2A
SCHEMBL4614820 0.83 CA2 (0.57) CA2CA1TSHRCYP3A4ATM

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
EP-2278014-A2 Method for producing alcohol and carboxylic acid having optical activity API Corporation (JP) 2011-01-26 EP disclosed
EP-2270178-A2 Method for producing alcohol and carboxylic acid having optical activity API Corporation (JP) 2011-01-05 EP disclosed
US-20080233621-A1 Method For Producing Alcohol and Carboxylic Acid Having Optical Activity API CORPORATION (JP) 2008-09-25 US disclosed
EP-1748975-B1 METHOD FOR THE PRODUCTION OF OPTICALLY ACTIVE 3-ALKYL CARBOXYLIC ACIDS AND THE INTERMEDIATE PRODUCTS THEREOF WACKER CHEMIE AG (DE) 2008-02-13 EP disclosed
US-20070225519-A1 Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof CONSORTIUM FUER ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2007-09-27 US disclosed
CN-1950508-A Process for producing optically active alcohol and carboxylic acid API CORP (JP) 2007-04-18 CN disclosed
EP-1712630-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AND CARBOXYLIC ACID API Corporation (JP) 2006-10-18 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-20070225519-A1 Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof ME1, ME3, ACMSD CA2 243/4885CA1 106/4885TSHR 2274/4885

“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.