SCHEMBL22016196

SCHEMBL22016196

CC(C)(C)c1cc2c([nH]c1=O)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
HPGD P15428 6/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
HRH4 Q9H3N8 1/20 0.36
MAPT P10636 4/20 0.33
ALOX15 P16050 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALOX12 P18054 1/20 0.33
KDR P35968 3/20 0.32

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
SCHEMBL19398116 0.79 PKN1 (0.44) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL19403880 0.77 ALDH1A1 (0.34) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL26262489 0.73 KDM4E (0.38) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL22016185 0.73 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL435143 0.72 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL22035221 0.71 KDM4E (0.49) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL21785590 0.70 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL26755843 0.70 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL21785278 0.70 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10NPSR1
SCHEMBL24390481 0.70 KDM4E (0.33) ALDH1A1HPGDKDM4EHSD17B10NPSR1

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 5 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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 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 (5 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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ALDH1A1 838/4885HPGD 3133/4885KDM4E 1390/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR ALDH1A1 193/4885HPGD 312/4885KDM4E 2655/4885
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.