SCHEMBL6049796

SCHEMBL6049796

CCC(c1ccccc1)C(O)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
LMNA P02545 3/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
MEN1 O00255 3/20 0.44
MMP8 P22894 1/20 0.44
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
KLK7 P49862 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LTA4H P09960 1/20 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
SCHEMBL16732180 0.84 KMT2A (0.56) KMT2ALMNAPTGS1PTGS2HKDC1
SCHEMBL27424998 0.83 ESR1 (0.49) KMT2APTGS1ALDH1A1
SCHEMBL1923823 0.82 LMNA (0.52) KMT2ALMNAPTGS1HKDC1MEN1
SCHEMBL6174681 0.80 CYP3A4 (0.52) KMT2ALMNAPTGS1PTGS2HKDC1
SCHEMBL487424 0.79 KMT2A (0.63) KMT2ALMNAPTGS1PTGS2MEN1
SCHEMBL8571791 0.78 KMT2A (0.62) KMT2ALMNAPTGS1PTGS2MEN1
SCHEMBL5789506 0.78 KMT2A (0.62) KMT2ALMNAPTGS1PTGS2MEN1
SCHEMBL6874324 0.78 KMT2A (0.62) KMT2ALMNAPTGS1PTGS2MEN1
SCHEMBL8634836 0.78 KMT2A (0.62) KMT2ALMNAPTGS1PTGS2MEN1
SCHEMBL10061860 0.78 KCNA5 (0.50) KMT2ALMNAPTGS1PTGS2HKDC1

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
EP-1405841-B1 PROCESS FOR PREPARATION OF 2-OXOCARBOXYLIC ACID ESTERS KURARAY CO (JP) 2006-08-16 EP disclosed
US-6897335-B2 Process for preparation of 2-oxocarboxylic acid esters KURARAY CO., LTD. (JP) 2005-05-24 US disclosed
US-20040162441-A1 Process for preparation of 2-oxocarboxylic acid esters KURARAY CO., LTD. (JP) 2004-08-19 US disclosed
EP-1405841-A1 PROCESS FOR PREPARATION OF 2-OXOCARBOXYLIC ACID ESTERS KURARAY CO., LTD. (JP) 2004-04-07 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-20040162441-A1 Process for preparation of 2-oxocarboxylic acid esters HAO2, HACL2, HAO1 KMT2A 2994/4885LMNA 2246/4885PTGS1 393/4885

“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.