SCHEMBL7069845

SCHEMBL7069845

CCc1nc2cc(C(F)(F)F)ccc2c(C(C)C)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.43
LDHB P07195 2/20 0.43
DHODH Q02127 3/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
EIF4A1 P60842 1/20 0.40
AKR1B1 P15121 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PTGES O14684 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
ALB P02768 1/20 0.36
DYRK1A Q13627 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL21613 0.76 DHODH (0.46) LDHALDHBDHODHEIF4A1AKR1B1
SCHEMBL21973 0.73 DHODH (0.46) DHODHEIF4A1AKR1B1
SCHEMBL24084 0.72 DHODH (0.46) DHODHEIF4A1AKR1B1RAB9AMRGPRX4
SCHEMBL20784 0.70 DHODH (0.51) DHODHEIF4A1DYRK1A
SCHEMBL7588252 0.70 DHODH (0.48) LDHALDHBDHODHKMT2AMEN1
SCHEMBL1721616 0.70 DHODH (0.46) DHODHEIF4A1
SCHEMBL23433 0.70 DHODH (0.46) DHODHEIF4A1MRGPRX4
SCHEMBL831714 0.70 MCL1 (0.40) DHODH
SCHEMBL8574110 0.69 DHODH (0.49) DHODH
SCHEMBL11132628 0.69 DHODH (0.49) LDHALDHBDHODHEIF4A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA LDHA 2228/4885LDHB 2325/4885DHODH 2979/4885

“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.