SCHEMBL6059677

SCHEMBL6059677

CC(C)(C)OC(=O)C=Cc1ccc(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
NFE2L2 Q16236 1/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP1B1 Q16678 1/20 0.45
ESR1 P03372 1/20 0.44
TTR P02766 2/20 0.43
APP P05067 1/20 0.43
TNFRSF1A P19438 1/20 0.43
PLA2G7 Q13093 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NR1H4 Q96RI1 3/20 0.42
PTPN1 P18031 1/20 0.41
BACE1 P56817 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41
DPP4 P27487 1/20 0.40

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
SCHEMBL6059676 1.00 PTGS2 (0.49) PTGS2NFE2L2CYP1A1CYP1A2CYP1B1
SCHEMBL12535673 0.88 ESR1 (0.42) PTGS2ESR1TTRAPPNR1H4
SCHEMBL20064785 0.87 NR1H4 (0.42) ESR1TTRAPPNR1H4PTPN1
SCHEMBL1322382 0.86 SNCA (0.56) PTGS2CYP1A1CYP1A2CYP1B1TNFRSF1A
SCHEMBL1322379 0.86 SNCA (0.56) PTGS2CYP1A1CYP1A2CYP1B1TNFRSF1A
SCHEMBL23582834 0.85 NR1H4 (0.43) ESR1TTRAPPTNFRSF1ANR1H4
SCHEMBL1321266 0.85 NR1H4 (0.41) PTGS2ESR1TTRAPPNR1H4
SCHEMBL20158247 0.85 TUBB1 (0.59) NFE2L2ESR1BACE1TUBB1
SCHEMBL1321264 0.85 NR1H4 (0.41) PTGS2ESR1TTRAPPNR1H4
SCHEMBL30487467 0.85 TUBB1 (0.59) NFE2L2ESR1BACE1TUBB1

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
EP-1735262-A1 PROCESS FOR PREPARING CINNAMIC ACIDS AND ALKYL ESTERS THEREOF Honeywell International, Inc. (US) 2006-12-27 EP disclosed
WO-2005105728-A1 PROCESS FOR PREPARING CINNAMIC ACIDS AND ALKYL ESTERS THEREOF HONEYWELL INTERNATIONAL INC. (US) 2005-11-10 WO disclosed
US-20050234261-A1 Process for preparing cinnamic acids and alkyl esters thereof HONEYWELL INTERNATIONAL INC. 2005-10-20 US 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-20050234261-A1 Process for preparing cinnamic acids and alkyl esters thereof PCCA, LIPA, CA7 PTGS2 2450/4885NFE2L2 2545/4885CYP1A1 826/4885

“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.