SCHEMBL22017507

SCHEMBL22017507

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
EZH2 Q15910 5/20 0.36
EED O75530 2/20 0.36
RBBP4 Q09028 2/20 0.36
SUZ12 Q15022 2/20 0.36
AEBP2 Q6ZN18 2/20 0.36
KDM5B Q9UGL1 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GLA P06280 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KDM5A P29375 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 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
SCHEMBL15647981 0.82 KDM4E (0.39) KDM4EL3MBTL1USP2LMNAALDH1A1
Hydrochloric Acid SCHEMBL16212688 0.80 KDM4E (0.38) KDM4EL3MBTL1USP2LMNAALDH1A1
SCHEMBL22016881 0.77 PDE3B (0.45) ALDH1A1EZH2BRD4BRD9
SCHEMBL18455423 0.77 EZH2 (0.39) KDM4EL3MBTL1USP2LMNAEZH2
SCHEMBL20051827 0.76 ITGB1 (0.37) KDM4EALDH1A1HPGDKDM5B
SCHEMBL22016884 0.73 KMT2A (0.38) KDM4EL3MBTL1LMNAALDH1A1HPGD
SCHEMBL4393645 0.73 KDM4E (0.44) KDM4EL3MBTL1USP2LMNAALDH1A1
Hydrochloric Acid SCHEMBL5487003 0.71 KDM4E (0.43) KDM4EL3MBTL1USP2LMNAALDH1A1
SCHEMBL11527852 0.70 EZH2 (0.41) KDM4EL3MBTL1ALDH1A1HPGDEZH2
SCHEMBL21977695 0.70 KDM4E (0.42) KDM4EL3MBTL1USP2LMNAALDH1A1

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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 KDM4E 1442/4885L3MBTL1 4194/4885USP2 4585/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1209/4885L3MBTL1 4321/4885USP2 4552/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885L3MBTL1 4861/4885USP2 2720/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 KDM4E 2522/4885L3MBTL1 4861/4885USP2 2720/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM4E 1442/4885L3MBTL1 4194/4885USP2 4585/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 KDM4E 2522/4885L3MBTL1 4861/4885USP2 2720/4885

“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.