SCHEMBL7073802

SCHEMBL7073802

Cc1cc(C(O)C(F)(F)F)c(O)c(C(O)C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CA2 P00918 2/20 0.37
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
CA1 P00915 1/20 0.33
ACHE P22303 1/20 0.32
GABRA1 P14867 3/20 0.31
GABRB1 P18505 3/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
GABRB2 P47870 1/20 0.31
ERN1 O75460 1/20 0.31

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
SCHEMBL10784157 0.78 SELL (0.37) SELLSELPSELEALDH1A1CA2
SCHEMBL7070057 0.78 TRPA1 (0.45) ALDH1A1LMNAGAAMAPT
SCHEMBL19824105 0.76 RAPGEF4 (0.35)
SCHEMBL19828596 0.76 PDE2A (0.35) PTGS2
SCHEMBL14141979 0.75 TDP1 (0.35) ALDH1A1POLBSMN1; SMN2KDM4ELMNA
SCHEMBL20906137 0.75 PTGS2 (0.30) PTGS2
SCHEMBL7128529 0.74 TRPA1 (0.57) SELLSELPSELEALDH1A1POLB
SCHEMBL14321440 0.73 ALDH1A1 (0.36) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL9614164 0.72 CA2 (0.44) SELLSELPSELEALDH1A1CA2
SCHEMBL19828711 0.71 TP53 (0.40) SMN1; SMN2KDM4ELMNAPTGS2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144524-A1 With an aromatic derivative carrying at least one hydroxyl functional group, wherein the electron-withdrawing group present on the carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitriles and RHODIA CHIMIE, FRANCE 2003-07-31 US claimed
US-6541674-B2 Electron-withdrawing group present on carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitrites and condensation is carried out in basic medium RHODIA CHIMIE (FR) 2003-04-01 US claimed
US-20010004670-A1 Process for the condensation of a carbonyl compound with an aromatic derivative in a basic medium RHODIA CHIMIE (FR) 2001-06-21 US claimed
US-20030144524-A1 With an aromatic derivative carrying at least one hydroxyl functional group, wherein the electron-withdrawing group present on the carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitriles and RHODIA CHIMIE, FRANCE 2003-07-31 US disclosed
US-6541674-B2 Electron-withdrawing group present on carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitrites and condensation is carried out in basic medium RHODIA CHIMIE (FR) 2003-04-01 US disclosed
US-20010004670-A1 Process for the condensation of a carbonyl compound with an aromatic derivative in a basic medium RHODIA CHIMIE (FR) 2001-06-21 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 (2 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-20010004670-A1 Process for the condensation of a carbonyl compound with an aromatic derivative in a basic medium NCAPH, ODC1, NCAPD2 SELL 2802/4885SELP 3393/4885SELE 1227/4885
US-20030144524-A1 With an aromatic derivative carrying at least one hydroxyl functional group, wherein the electron-withdrawing group present on the carbonyl compound is selected from fluoroalkyl derivatives, esters, including orthoesters, and nitriles and ECE2, HCN4, ETV6 SELL 3028/4885SELP 3441/4885SELE 556/4885

“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.