SCHEMBL22017130

SCHEMBL22017130

COc1c(C(C)C)c(=O)n(C)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 7/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
PABPC1 P11940 1/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM1A O60341 1/20 0.43
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GPR3 P46089 1/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL6578988 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL9261324 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL22017085 0.79 KDM4E (0.46) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL15920627 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL15876642 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL1240163 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL31018139 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL20669941 0.76 LMNA (0.46) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL24312069 0.75 KDM4E (0.70) ALDH1A1KDM4EGAASMN1; SMN2PABPC1
SCHEMBL22035467 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EGAASMN1; SMN2PABPC1

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 7 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-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 (7 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 ALDH1A1 476/4885KDM4E 2522/4885GAA 252/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 823/4885KDM4E 1442/4885GAA 841/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 ALDH1A1 476/4885KDM4E 2522/4885GAA 252/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 ALDH1A1 823/4885KDM4E 1442/4885GAA 841/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B ALDH1A1 838/4885KDM4E 1390/4885GAA 923/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 823/4885KDM4E 1442/4885GAA 841/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 ALDH1A1 476/4885KDM4E 2522/4885GAA 252/4885

“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.