SCHEMBL22016185

SCHEMBL22016185

CCc1cc2c([nH]c1=O)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
NPSR1 Q6W5P4 1/20 0.49
GRIN2D O15399 3/20 0.42
GRIN3B O60391 3/20 0.42
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
GRIN2B Q13224 3/20 0.42
GRIN2C Q14957 3/20 0.42
GRIN3A Q8TCU5 3/20 0.42
HRH4 Q9H3N8 1/20 0.36
ALOX15 P16050 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 4/20 0.34
APOBEC3G Q9HC16 1/20 0.34
SRC P12931 2/20 0.34
ALOX12 P18054 2/20 0.33
HSD17B1 P14061 1/20 0.33

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
SCHEMBL29198801 0.84 KDM4E (0.49) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL32662010 0.80 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL19429469 0.79 PKN1 (0.45) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL22993368 0.75 CYP2C19 (0.38) ALDH1A1KDM4EHSD17B10ALOX15MAPK1
SCHEMBL2747232 0.75 KDM4E (0.59) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL4753189 0.75 ALDH1A1 (0.42) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL435143 0.73 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL22035221 0.73 KDM4E (0.49) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL22016196 0.73 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL7175506 0.73 GRIN2D (0.41) ALDH1A1KDM4ENPSR1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 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 (4 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-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ALDH1A1 476/4885HPGD 585/4885KDM4E 2522/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ALDH1A1 476/4885HPGD 585/4885KDM4E 2522/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 823/4885HPGD 3062/4885KDM4E 1442/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ALDH1A1 476/4885HPGD 585/4885KDM4E 2522/4885

“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.