SCHEMBL22016882

SCHEMBL22016882

CCc1c(C)c(C)c(C)n(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ BRD4 O60885 1/20 0.30
▸ BRD2 P25440 1/20 0.30
▸ BRD9 Q9H8M2 1/20 0.30
▸ BRD7 Q9NPI1 1/20 0.30

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
SCHEMBL22035529 0.77 KDM5B (0.31) KDM5A
SCHEMBL10049703 0.75 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL9273442 0.73 KDM5A (0.41) KDM5AKDM4EALDH1A1
SCHEMBL16002393 0.70 KDM5A (0.32) KDM5A
SCHEMBL9345587 0.68 GAA (0.31) KDM4EALDH1A1
SCHEMBL9345546 0.68 GAA (0.31) KDM4EALDH1A1
SCHEMBL21957413 0.67 NOX4 (0.31) —
SCHEMBL12926006 0.66 KDM5A (0.34) KDM5A
SCHEMBL9215563 0.65 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2
SCHEMBL22017507 0.65 KDM4E (0.40) KDM5AKDM4EALDH1A1SMN1; SMN2BRD4

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
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 — — 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 (3 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 KDM5A 2386/4885KDM4E 2522/4885ALDH1A1 476/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM5A 2386/4885KDM4E 2522/4885ALDH1A1 476/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM5A 2386/4885KDM4E 2522/4885ALDH1A1 476/4885

“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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