SCHEMBL6728940

SCHEMBL6728940

O=C(O)c1c(Cl)cc(F)c(OC(F)(F)F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMO O15229 2/20 0.34
FFAR4 Q5NUL3 3/20 0.34
DHODH Q02127 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
FFAR1 O14842 2/20 0.33
EPHX2 P34913 1/20 0.33
PYGL P06737 1/20 0.32
WDR5 P61964 1/20 0.32
PLAU P00749 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL6725139 0.81 FFAR1 (0.33) ALDH1A1HSD17B10FFAR4FFAR1EPHX2
SCHEMBL10974680 0.77 EPHX2 (0.34) FFAR4FFAR1EPHX2
SCHEMBL5508917 0.75 CA1 (0.40) KDM4EALDH1A1HSD17B10KMOPOLB
SCHEMBL6725463 0.75 DPP4 (0.33) AKR1C2AKR1C1KMOMRGPRX4POLB
SCHEMBL10977611 0.75 EPHX2 (0.35) FFAR4FFAR1EPHX2
SCHEMBL6725020 0.72 KMO (0.43) AKR1C2AKR1C1KDM4EALDH1A1HSD17B10
SCHEMBL6723631 0.72 MEN1 (0.31) ALDH1A1
SCHEMBL26231913 0.72 LMNA (0.46) KDM4EALDH1A1HSD17B10FFAR4MRGPRX4
SCHEMBL31181867 0.71 TSHR (0.36) CYP2C9AURKATPX2
SCHEMBL9804225 0.70 EPHX2 (0.32) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677479-B2 REACTING A HALOGENATED BENZENE COMPOUND WITH ALDEHYDE; SOLVENT EXTRACTION; PURIFICATION CLARIANT FINANCE LBVI LIMITED (VG) 2004-01-13 US disclosed
US-20030092930-A1 Substituted fluoroaromatics, process for preparing them and their use CLARIANT GMBH 2003-05-15 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-20030092930-A1 Substituted fluoroaromatics, process for preparing them and their use CYP2F1, CYP1A1, CYP4X1 AKR1C2 993/4885AKR1C1 834/4885KDM4E 1277/4885

“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.