SCHEMBL6282142

SCHEMBL6282142

C=C(C)C(=O)OC(C)c1ccccc1-c1cccc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.43
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
PTGER1 P34995 3/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
NR1H4 Q96RI1 2/20 0.41
FOLH1 Q04609 2/20 0.39
CYP2C9 P11712 1/20 0.38
ELANE P08246 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37

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
SCHEMBL27459252 0.87 LPAR1 (0.39) LMNAGAACYP2C9ELANE
SCHEMBL6284576 0.86 CASR (0.41) ELANERXRARXRB
SCHEMBL6281239 0.83 KMO (0.43) KMOAKR1C3AKR1C2PTGER1LMNA
SCHEMBL10094322 0.79 KMO (0.56) KMOAKR1C3AKR1C2PTGER1LMNA
SCHEMBL6285569 0.78 MAPK1 (0.39) LMNAGAAFOLH1CYP2C9ELANE
SCHEMBL21112015 0.74 ALDH1A1 (0.41) LMNAGAACYP2C9ELANE
SCHEMBL26816137 0.73 ELANE (0.36) LMNAGAAELANE
SCHEMBL27644938 0.72 MMP12 (0.46) GAACYP2C9
Iodide SCHEMBL5873855 0.72 ELANE (0.36) LMNAELANE
Iodide SCHEMBL5873850 0.72 ELANE (0.36) LMNAELANE

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-6846900-B2 POLYVALENT CARBOXYLIC ACID ESTER, PROCESS FOR PRODUCING THE CARBOXYLIC ACID ESTER, PLASTIC LENS COMPOSITION USING THE CARBOXYLIC ESTER, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K.K. (JP) 2005-01-25 US disclosed
US-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions SHOW A DENKO K.K. (JP) 2003-07-31 US disclosed
WO-2002079140-A1 NOVEL POLYVALENT CARBOXYLIC ACID ESTERS AND THEIR USE IN PLASTIC LENS COMPOSITIONS SHOWA DENKO K. K. (JP) 2002-10-10 WO 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-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions VCL, VIM, CRYAA KMO 187/4885AKR1C3 728/4885AKR1C2 1056/4885

“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.