SCHEMBL6300623

SCHEMBL6300623

O=C(c1ccccc1)N(c1ccc(F)cc1)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.57
ESR1 P03372 4/20 0.50
ESR2 Q92731 4/20 0.50
PTGIR P43119 3/20 0.46
PTGDR Q13258 2/20 0.46
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
PARP1 P09874 1/20 0.42
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL6294582 0.90 PTGIR (0.49) NR3C2ESR1ESR2PTGIRPTGDR
SCHEMBL29946763 0.87 ESR1 (0.55) NR3C2ESR1ESR2CES2CES1
SCHEMBL6294960 0.87 NR3C2 (0.53) NR3C2ESR1ESR2PTGIRPTGDR
SCHEMBL6294911 0.86 PTGIR (0.53) NR3C2ESR1ESR2PTGIRPTGDR
Hydrochloric Acid SCHEMBL29946651 0.85 ESR1 (0.54) NR3C2ESR1ESR2CES2CES1
SCHEMBL6294664 0.83 NR3C2 (0.53) NR3C2ESR1ESR2PTGIRPTGDR
SCHEMBL2094984 0.80 NPSR1 (0.48) PTGIRPTGDRCES2CES1NPC1
SCHEMBL9001714 0.79 NR3C2 (0.62) NR3C2ESR1ESR2CES2CES1
SCHEMBL1003807 0.79 NPSR1 (0.61) NR3C2ESR1ESR2CES2CES1
SCHEMBL2094982 0.78 PTGIR (0.47) ESR1ESR2PTGIRPTGDRCES2

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-6897316-B2 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents CHINA MEDICAL UNIVERSITY (TW) 2005-05-24 US disclosed
US-20050032832-A1 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents CHINA MEDICAL UNIVERSITY (TW) 2005-02-10 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-20050032832-A1 Substituted 2-phenyl-4-quinolone-3-carboxylic acid compounds and their use as antitumor agents TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHUK NR3C2 3307/4885ESR1 3528/4885ESR2 3476/4885

“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.