SCHEMBL17742905

SCHEMBL17742905

CCCCCCC(O)c1[nH]c2ccccc2c(=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.52
▸ ALDH1A1 P00352 8/20 0.52
▸ HPGD P15428 7/20 0.52
▸ HSD17B10 Q99714 6/20 0.52
▸ GAA P10253 2/20 0.50
▸ USP2 O75604 1/20 0.46
▸ CTSV O60911 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ MGAM O43451 1/20 0.42
▸ SI P14410 1/20 0.42
▸ MGAM2 Q2M2H8 1/20 0.42

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
SCHEMBL26993708 0.77 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL16237897 0.77 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL301567 0.77 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL130919 0.77 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29365383 0.77 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
Acridone SCHEMBL28159674 0.76 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL170077 0.75 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL16254241 0.75 CTSV (0.59) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL28262029 0.75 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL16254239 0.74 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10GAA

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-20160131648-A1 ALKYL QUINOLONES AS BIOMARKERS OF PSEUDOMONAS AERUGINOSA INFECTION AND USES THEREOF THE UNIVERSITY OF NOTTINGHAM (GB) 2016-05-12 — — 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-20160131648-A1 ALKYL QUINOLONES AS BIOMARKERS OF PSEUDOMONAS AERUGINOSA INFECTION AND USES THEREOF NQO2, QARS1, CD14 KDM4E 4049/4885ALDH1A1 1222/4885HPGD 126/4885

“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.

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