SCHEMBL22016875

SCHEMBL22016875

Cc1c(C)c(C)n(C)c(=O)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
KMT2A Q03164 1/20 0.31
LIPE Q05469 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
SCHEMBL12368443 0.82 LMNA (0.39) LMNAADORA3KMT2ALIPE
SCHEMBL10049703 0.75 KDM4E (0.32) KMT2A
SCHEMBL14803801 0.73 LMNA (0.43) LMNAADORA3KMT2A
SCHEMBL10093812 0.70 LMNA (0.31) LMNAADORA3
SCHEMBL8330118 0.68
SCHEMBL22017085 0.67 KDM4E (0.46) LMNAADORA3KMT2A
SCHEMBL21957413 0.67 NOX4 (0.31)
SCHEMBL25447398 0.67
SCHEMBL25003705 0.66 ADORA3 (0.49) LMNAADORA3
SCHEMBL12611135 0.65 LMNA (0.35) LMNAADORA3KMT2A

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-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 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 LMNA 2900/4885ADORA3 1752/4885KMT2A 2755/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 LMNA 2900/4885ADORA3 1752/4885KMT2A 2755/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B LMNA 2991/4885ADORA3 1388/4885KMT2A 2981/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 LMNA 2900/4885ADORA3 1752/4885KMT2A 2755/4885

“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.