SCHEMBL905440

SCHEMBL905440

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
METAP1 P53582 1/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36

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
SCHEMBL4416129 1.00 ALDH1A1 (0.40) ALDH1A1MAPTLMNAPOLBHSD17B10
SCHEMBL8009470 1.00 ALDH1A1 (0.40) ALDH1A1MAPTLMNAPOLBHSD17B10
SCHEMBL10869191 0.90 TP53 (0.43) ALDH1A1MAPTLMNAPOLBHSD17B10
SCHEMBL7507908 0.87 CA2 (0.42) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL905459 0.87 CA2 (0.42) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL28046958 0.85 CA1 (0.44) MAPTTP53CPB2
SCHEMBL8007457 0.85 ALDH1A1 (0.35) ALDH1A1MAPTLMNAPOLBHSD17B10
SCHEMBL19105414 0.84 HDAC1 (0.37) ALDH1A1MAPTLMNAHSD17B10NPSR1
SCHEMBL7510756 0.84 ZDHHC7 (0.46) MAPTTP53CPB2
SCHEMBL7510923 0.84 ZDHHC7 (0.46) MAPTTP53CPB2

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 12 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-7534908-B2 Method for the production of optically active 3-alkylcarboxylic acids and the intermediate products thereof WACKER CHEMIE AG (DE) 2009-05-19 US disclosed
US-7534908-B2 Method for the production of optically active 3-alkylcarboxylic acids and the intermediate products thereof WACKER CHEMIE AG (DE) 2009-05-19 US 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
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
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
WO-2000024358-A2 SYNTHESIS AND USES OF THIOPENTONE ENANTIOMERS THE UNIVERSITY OF SYDNEY (AU) 2000-05-04 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-20070225519-A1 Method for the Production of Optically Active 3-Alkyl Carboxylic Acids and the Intermediate Products Thereof ME1, ME3, ACMSD ALDH1A1 128/4885MAPT 1947/4885LMNA 2072/4885

“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.