SCHEMBL7074543

SCHEMBL7074543

Oc1ccc2ccccc2c1C(O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.47
POLB P06746 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
USP2 O75604 1/20 0.43
PAK1 Q13153 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 5/20 0.41
GAA P10253 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ERN1 O75460 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.38

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
SCHEMBL29946603 1.00 PTPN22 (0.47) PTPN22POLBMEN1KMT2AKDM4E
SCHEMBL3075110 0.79 ALDH1A1 (0.39) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL2482183 0.79 ALDH1A1 (0.39) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL977301 0.79 ALDH1A1 (0.39) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL26370800 0.79 PTPN22 (0.56) PTPN22POLBMEN1KMT2AKDM4E
SCHEMBL28666704 0.77 PTPN22 (0.54) PTPN22POLBMEN1KMT2AKDM4E
SCHEMBL29946505 0.77 MAPT (0.50) MEN1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL28915745 0.76 PTPN22 (0.48) PTPN22POLBMEN1KMT2AKDM4E
SCHEMBL29946518 0.76 PTPN22 (0.57) PTPN22POLBMEN1KMT2AKDM4E
SCHEMBL11756082 0.75 PTPN22 (0.47) PTPN22MEN1KMT2AALDH1A1CYP1A2

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-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 PTPN22 3764/4885POLB 997/4885MEN1 1088/4885
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 PTPN22 2722/4885POLB 2980/4885MEN1 1940/4885

“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.