SCHEMBL4259162

SCHEMBL4259162

CC(=O)Nc1cc(C)c(C(C)=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 7/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 6/20 0.43
POLB P06746 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
GAA P10253 1/20 0.39
ESR1 P03372 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL29819513 0.87 ALDH1A1 (0.58) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL4258095 0.86 KDM4E (0.50) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL10741209 0.86 ALDH1A1 (0.56) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL1027809 0.85 NPC1 (0.46) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL30007636 0.85 NPC1 (0.46) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL5413239 0.83 ALDH1A1 (0.49) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL10306224 0.83 ALDH1A1 (0.54) ALDH1A1HPGDKMT2AKDM4ENPC1
SCHEMBL28388030 0.82 KMT2A (0.51) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL14565687 0.82 PRKCI (0.43) ALDH1A1HPGDKMT2AKDM4ENPC1
SCHEMBL1028607 0.81 NPC1 (0.46) ALDH1A1HPGDKMT2AKDM4EHSD17B10

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-20090069373-A1 Quinoline Acids WYETH (US) 2009-03-12 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-20090069373-A1 Quinoline Acids NR1H3, NR1H2, NR1H4 ALDH1A1 1667/4885HPGD 978/4885KMT2A 1078/4885

“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.