SCHEMBL22016198

SCHEMBL22016198

Cc1cc(C(C)C)c(=O)n(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.38
GPR55 Q9Y2T6 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
BRD4 O60885 2/20 0.32
BRD2 P25440 2/20 0.32
BRD9 Q9H8M2 2/20 0.32
BRD7 Q9NPI1 2/20 0.32
POLB P06746 1/20 0.32
GFER P55789 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD1 O95696 1/20 0.32
BRPF1 P55201 1/20 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
SCHEMBL24556355 0.83 BRPF1 (0.37) CRHR1GPR55ALDH1A1LMNAGAA
SCHEMBL19197220 0.75 BRD4 (0.42) ALDH1A1LMNAMEN1KMT2ABRD4
SCHEMBL29302054 0.73 BRPF1 (0.36) CRHR1GPR55ALDH1A1LMNAGAA
SCHEMBL24556383 0.72 GABRA1 (0.32) CRHR1GPR55ALDH1A1LMNAADORA3
SCHEMBL15975183 0.70 GRIA1 (0.36) ALDH1A1LMNAMEN1KMT2ABRD4
SCHEMBL2736479 0.70 DAO (0.46) ALDH1A1MEN1KMT2ABRD4BRD2
SCHEMBL27990139 0.70 ATAD2 (0.36) ALDH1A1MEN1KMT2ABRD4BRD2
SCHEMBL2736524 0.70 ATAD2 (0.45) ALDH1A1GAABRD4BRD2BRD9
SCHEMBL2736488 0.70 BRD4 (0.33) ALDH1A1BRD4BRD2BRD9BRD7
SCHEMBL14884309 0.69

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 CRHR1 3329/4885GPR55 4373/4885ALDH1A1 476/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 CRHR1 3329/4885GPR55 4373/4885ALDH1A1 476/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B CRHR1 4653/4885GPR55 3068/4885ALDH1A1 838/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 CRHR1 3329/4885GPR55 4373/4885ALDH1A1 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.