SCHEMBL5040429

SCHEMBL5040429

CCCCc1cc2c(=O)c(C(=O)O)c[nH]c2cc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MDH2 P40926 2/20 0.60
GABRA1 P14867 4/20 0.51
GABRB2 P47870 4/20 0.51
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.48

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
Nequinate SCHEMBL29365503 0.91 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2MDH2GABRA1
Nequinate SCHEMBL1509158 0.91 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2MDH2GABRA1
SCHEMBL27567115 0.88 ALDH1A1 (0.45) ALDH1A1HPGDSMN1; SMN2MDH2GABRA1
SCHEMBL9425394 0.85 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2MDH2LMNA
SCHEMBL5161582 0.80 GABRA1 (0.64) ALDH1A1HPGDSMN1; SMN2MDH2GABRA1
SCHEMBL20272166 0.79 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2GABRA1GABRB2
SCHEMBL5033245 0.79 POLB (0.45) POLB
SCHEMBL5159020 0.77 GABRA1 (0.62) ALDH1A1HPGDSMN1; SMN2MDH2GABRA1
SCHEMBL16491115 0.77 ALDH1A1 (0.56) ALDH1A1HPGDSMN1; SMN2MDH2MAPT
SCHEMBL17181485 0.76 MDH2 (0.61) ALDH1A1HPGDSMN1; SMN2MDH2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979941-A Method for purifying naphthoquine ester 瑞孚信江苏药业股份有限公司 2022-01-28 CN disclosed
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 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-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R ALDH1A1 4803/4885HPGD 2346/4885SMN1; SMN2 4211/4885

“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.