SCHEMBL22016469

SCHEMBL22016469

COc1cc(C)n(C)c(=O)c1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
CYP19A1 P11511 6/20 0.37
NQO2 P16083 6/20 0.37
CRHR1 P34998 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
S100B P04271 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
PDE4B Q07343 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL24390530 0.79 PDE3B (0.33) PDE3BPDE3AALDH1A1MAPTPDE4B
SCHEMBL25192441 0.78 CYP1A2 (0.37) PDE3BPDE3ACYP19A1NQO2HDAC4
SCHEMBL21921254 0.78 ATAD2 (0.36) PDE3BPDE3AS100BALDH1A1GAA
SCHEMBL22016779 0.77 KDM4E (0.40) PDE3BPDE3ACRHR1ALDH1A1GAA
SCHEMBL22037773 0.77 PDE3B (0.43) PDE3BPDE3ACYP19A1NQO2S100B
SCHEMBL25186771 0.77 PDE3B (0.35) PDE3BPDE3AHDAC4HDAC8S100B
SCHEMBL25181919 0.76 L3MBTL1 (0.42) PDE3BPDE3AHDAC4HDAC8ALDH1A1
SCHEMBL20280294 0.76 CRHR1 (0.38) PDE3BPDE3ACRHR1ALDH1A1GAA
SCHEMBL21955358 0.74 PDE3B (0.42) PDE3BPDE3ACYP19A1NQO2S100B
SCHEMBL20844006 0.73 POLB (0.35) PDE3BPDE3ACYP19A1NQO2HDAC4

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 6 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-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (6 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 PDE3B 87/4885PDE3A 266/4885CYP19A1 1159/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 PDE3B 335/4885PDE3A 764/4885CYP19A1 4552/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 PDE3B 87/4885PDE3A 266/4885CYP19A1 1159/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 PDE3B 335/4885PDE3A 764/4885CYP19A1 4552/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B PDE3B 248/4885PDE3A 912/4885CYP19A1 3731/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 PDE3B 87/4885PDE3A 266/4885CYP19A1 1159/4885

“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.