SCHEMBL6461540

SCHEMBL6461540

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.62
POLB P06746 2/20 0.51
FFAR1 O14842 5/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PTGS1 P23219 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
PKM P14618 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A4 P31645 1/20 0.47

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
SCHEMBL8900813 0.85 LDHA (0.56) LDHAMMP1KMT2ASLC6A4
SCHEMBL6464896 0.84 FFAR1 (0.50) LDHAPOLBFFAR1KDM4EPTGS1
SCHEMBL11221835 0.83 LDHA (0.66) LDHAPOLBFFAR1PPARGPPARA
SCHEMBL11827203 0.82 FFAR1 (0.58) FFAR1PPARGPPARA
SCHEMBL6177062 0.81 LDHA (0.64) LDHAPOLBFFAR1PPARGPPARA
SCHEMBL6462909 0.81 LDHA (0.64) LDHAPOLBFFAR1PPARGPPARA
SCHEMBL6461552 0.81 KMT2A (0.51) FFAR1PPARGPPARAKMT2A
SCHEMBL11830881 0.81 PTGS1 (0.53) PTGS1AKR1C3AKR1C2
SCHEMBL11838196 0.81 ALDH1A1 (0.47) PPARGPPARAKMT2A
SCHEMBL6178867 0.80 LDHA (0.67) LDHAPOLBFFAR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2554/4885FFAR1 349/4885

“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.