SCHEMBL6465773

SCHEMBL6465773

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.62
POLB P06746 1/20 0.54
FFAR1 O14842 8/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 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
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
SCHEMBL6462808 0.84 FFAR1 (0.50) LDHAPOLBFFAR1MMP1MMP2
SCHEMBL11221835 0.83 LDHA (0.66) LDHAPOLBFFAR1PPARGPPARA
SCHEMBL6177062 0.81 LDHA (0.64) LDHAPOLBFFAR1PPARGPPARA
SCHEMBL6462909 0.81 LDHA (0.64) LDHAPOLBFFAR1PPARGPPARA
SCHEMBL6462666 0.81 KMT2A (0.48) FFAR1PPARGPPARA
SCHEMBL6467779 0.80 LDHA (0.62) LDHAPOLBFFAR1PPARGPPARA
SCHEMBL6461540 0.80 LDHA (0.62) LDHAPOLBFFAR1PPARGPPARA
SCHEMBL6178867 0.80 LDHA (0.67) LDHAPOLBFFAR1PPARGPPARA
SCHEMBL5748284 0.79 LDHA (0.71) LDHAPOLBFFAR1PPARGPPARA
SCHEMBL6177637 0.79 LDHA (0.60) LDHAPOLBPPARGPPARAPKM

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.