SCHEMBL6462909

SCHEMBL6462909

COc1ccc(CC(O)CC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.64
POLB P06746 2/20 0.55
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
FFAR1 O14842 6/20 0.50
PKM P14618 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL8902344 0.85 LDHA (0.57) LDHAPOLBPPARGPPARAMMP1
SCHEMBL11221835 0.84 LDHA (0.66) LDHAPOLBPPARGPPARAFFAR1
SCHEMBL6460737 0.83 MMP12 (0.65) LDHAPOLBFFAR1MMP2MMP9
SCHEMBL3105574 0.83 LDHA (0.56) LDHAPOLBPPARGPPARACYP2D6
SCHEMBL5859651 0.83 LDHA (0.62) LDHAPOLBPPARGPPARACYP2D6
SCHEMBL6177062 0.83 LDHA (0.64) LDHAPOLBPPARGPPARAFFAR1
SCHEMBL6178867 0.81 LDHA (0.67) LDHAPOLBPPARGPPARAFFAR1
SCHEMBL11823926 0.81 MMP12 (0.67) PPARGPPARAFFAR1
SCHEMBL6465773 0.81 LDHA (0.62) LDHAPOLBPPARGPPARAFFAR1
SCHEMBL6467779 0.81 LDHA (0.62) LDHAPOLBPPARGPPARAFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109628508-B Method for splitting chiral substance by enzyme method 华南理工大学 2021-08-10 CN disclosed
US-6903233-B2 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-07 US disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 LDHA 3066/4885POLB 2554/4885PPARG 2174/4885

“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.