SCHEMBL905460

SCHEMBL905460

CCCC[C@@](C)(CC)C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.34
ARG2 P78540 2/20 0.34
AKR1B1 P15121 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
FDPS P14324 1/20 0.32
PPARG P37231 5/20 0.32
PPARD Q03181 5/20 0.32
PPARA Q07869 5/20 0.32
HDAC11 Q96DB2 4/20 0.32
TSHR P16473 3/20 0.32
GPR84 Q9NQS5 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
PTPN1 P18031 2/20 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
SCHEMBL8917782 0.94 CES2 (0.37) ARG1ARG2AKR1B1PPARGPPARD
SCHEMBL6200668 0.94 ARG1 (0.35) ARG1ARG2AKR1B1CA2MAPK1
SCHEMBL8746380 0.92 CES2 (0.40) PPARGPPARDPPARAHDAC11TSHR
SCHEMBL8746426 0.92 CES2 (0.40) PPARGPPARDPPARAHDAC11TSHR
SCHEMBL8746360 0.92 CES2 (0.40) PPARGPPARDPPARAHDAC11TSHR
SCHEMBL8917317 0.92 CES2 (0.40) PPARGPPARDPPARAHDAC11TSHR
SCHEMBL905441 0.89 ALDH1A1 (0.34) FDPSTSHRALDH1A1MEN1KMT2A
SCHEMBL7640876 0.89 ALDH1A1 (0.34) FDPSTSHRALDH1A1MEN1KMT2A
SCHEMBL9331964 0.83 ACLY (0.53) PPARGPPARDPPARATDP1FABP4
SCHEMBL9334757 0.83 ACLY (0.53) PPARGPPARDPPARATDP1FABP4

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 5 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
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
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 ARG1 3794/4885ARG2 3301/4885AKR1B1 612/4885

“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.