SCHEMBL6464896

SCHEMBL6464896

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.50
ALDH1A1 P00352 2/20 0.50
LDHA P00338 1/20 0.50
F2RL1 P55085 1/20 0.49
MMP12 P39900 2/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
PTGS1 P23219 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL11221992 0.84 LDHA (0.53) FFAR1ALDH1A1LDHAF2RL1MMP12
SCHEMBL6461540 0.84 LDHA (0.62) FFAR1LDHAKDM4EPOLBMMP1
SCHEMBL11602458 0.83 HTT (0.56) F2RL1KDM4EPOLBSMN1; SMN2
SCHEMBL6460737 0.83 MMP12 (0.65) FFAR1ALDH1A1LDHAF2RL1MMP12
SCHEMBL6462189 0.82 FFAR1 (0.46) FFAR1MMP12MMP2MMP9MMP13
SCHEMBL5365699 0.81 S1PR2 (0.62) FFAR1ALDH1A1LDHAF2RL1MMP12
SCHEMBL6462808 0.81 FFAR1 (0.50) FFAR1ALDH1A1LDHAF2RL1MMP12
SCHEMBL6465824 0.80 MMP12 (0.46) FFAR1MMP12MMP2MMP9MMP13
SCHEMBL6462807 0.80 MMP12 (0.53) FFAR1MMP12MMP2MMP9SMN1; SMN2
SCHEMBL5613430 0.79 MMP12 (0.72) FFAR1ALDH1A1MMP12MMP2MMP9

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 FFAR1 349/4885ALDH1A1 374/4885LDHA 3066/4885

“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.