SCHEMBL6065611

SCHEMBL6065611

CCCCCCCCCCCCc1sccc1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.51
ALDH1A1 P00352 2/20 0.50
GPR35 Q9HC97 1/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42

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
Propionic Acid SCHEMBL28438232 0.88 LTB4R (0.58) LTB4RALDH1A1GPR35BIDMCL1
SCHEMBL9093730 0.88 LTB4R (0.51) LTB4RALDH1A1GPR35HPGDHSD17B10
SCHEMBL6065211 0.86 EPHX1 (0.44) LTB4RALDH1A1
SCHEMBL28904223 0.83 LTB4R (0.44) LTB4RALDH1A1GPR35HPGDHSD17B10
SCHEMBL15152496 0.81 LTB4R (0.49) LTB4RGPR35BIDMCL1BCL2L1
SCHEMBL15648187 0.81 LTB4R (0.49) LTB4RGPR35BIDMCL1BCL2L1
SCHEMBL28854260 0.81 LTB4R (0.49) LTB4RGPR35BIDMCL1BCL2L1
SCHEMBL6260351 0.81 LTB4R (0.49) LTB4RGPR35BIDMCL1BCL2L1
SCHEMBL14690810 0.81 LTB4R (0.49) LTB4RGPR35BIDMCL1BCL2L1
SCHEMBL28037072 0.81 LTB4R (0.49) LTB4RGPR35BIDMCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247458-A1 Process for the production of optically active compounds having substituents at the 2-position KANEKA CORPORATION (JP) 2006-11-02 US disclosed
EP-1600438-A1 PROCESSES FOR THE PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS HAVING SUBSTITUENTS AT THE 2-POSITION KANEKA CORPORATION (JP) 2005-11-30 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-20060247458-A1 Process for the production of optically active compounds having substituents at the 2-position TST, TMT1A, OSGEP LTB4R 1341/4885ALDH1A1 471/4885GPR35 2683/4885

“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.