SCHEMBL6723976

SCHEMBL6723976

O=Cc1c(Cl)ccc(C(F)(F)F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KIF11 P52732 1/20 0.39
KDR P35968 1/20 0.35
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
PDK1 Q15118 1/20 0.32
IDO1 P14902 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
CLCN2 P51788 1/20 0.31
NPFFR1 Q9GZQ6 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
SCHEMBL613749 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL30480764 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL9344684 0.82 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL9340547 0.80 CYP2C9 (0.46) KIF11CYP2D6CYP2C9
SCHEMBL658325 0.79 KMT2A (0.38) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL14690948 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1TDP1
SCHEMBL7927635 0.78 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1TDP1KIF11
SCHEMBL6723791 0.77 KIF11 (0.39) KIF11CYP2D6CYP2C9
SCHEMBL1015538 0.77 KIF11 (0.39) KMT2AMEN1KIF11CYP2D6CYP2C9
SCHEMBL9340504 0.77 KIF11 (0.35) ALDH1A1KMT2AMEN1TDP1KIF11

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 ALDH1A1 589/4885KMT2A 1454/4885MEN1 505/4885

“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.