SCHEMBL410346

SCHEMBL410346

C=CC(=O)N(C)CCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 3/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
NAMPT P43490 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL990607 0.86 TSHR (0.31) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL3224166 0.83 TSHR (0.39) TSHRALDH1A1TDP1CA1CA12
SCHEMBL27695605 0.82 GABRR1 (0.41)
SCHEMBL3255350 0.82 ALDH1A1 (0.38) TSHRALDH1A1TDP1ZDHHC20ZDHHC2
SCHEMBL14413490 0.82 ZDHHC20 (0.30) ZDHHC20ZDHHC2
SCHEMBL24363224 0.81 GABBR2 (0.31)
SCHEMBL28649883 0.81 ZDHHC20 (0.31) TSHRALDH1A1ZDHHC20ZDHHC2
SCHEMBL27695554 0.80
SCHEMBL27695859 0.80 ZDHHC20 (0.30) ZDHHC20ZDHHC2
SCHEMBL3273294 0.79

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. 2020-09-17 US disclosed
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC 2020-09-03 US disclosed
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2020-02-20 US disclosed
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-11-05 US disclosed
US-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-25 US disclosed
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 US disclosed
US-10023588-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-17 US disclosed
US-20120184013-A1 Inhibitors of BMX non-receptor tyrosine kinase PHARMACYCLICS, INC. (US) 2012-07-19 US disclosed
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-19 US disclosed
US-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-07-12 US disclosed
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE PHARMACYCLICS, INC. (US) 2012-06-28 US disclosed
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-03-15 US disclosed
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS, INC. (US) 2011-09-15 US disclosed
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2010-10-07 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 (18 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-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS TSHR 4752/4885ALDH1A1 2792/4885TDP1 3544/4885
US-20120178753-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 TSHR 3200/4885ALDH1A1 4117/4885TDP1 284/4885
US-20120165328-A1 INHIBITORS OF B LYMPHOCYTE KINASE BLK, DCK, LTK TSHR 2700/4885ALDH1A1 4263/4885TDP1 896/4885
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 TSHR 2001/4885ALDH1A1 3889/4885TDP1 958/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS TSHR 4752/4885ALDH1A1 2792/4885TDP1 3544/4885
US-20200289515-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN TSHR 2102/4885ALDH1A1 4521/4885TDP1 348/4885
US-10464949-B2 Thiazolyl-containing compounds for treating proliferative diseases BTK, BCL9L, BCL9 TSHR 2001/4885ALDH1A1 3889/4885TDP1 958/4885
US-10023588-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS TSHR 4752/4885ALDH1A1 2792/4885TDP1 3544/4885
US-20120101114-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 TSHR 3200/4885ALDH1A1 4117/4885TDP1 284/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 TSHR 3200/4885ALDH1A1 4117/4885TDP1 284/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS TSHR 4752/4885ALDH1A1 2792/4885TDP1 3544/4885
US-20120184567-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 TSHR 3200/4885ALDH1A1 4117/4885TDP1 284/4885
US-20190119295-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS TSHR 4752/4885ALDH1A1 2792/4885TDP1 3544/4885
US-20200055859-A1 INHIBITORS OF BRUTONS TYROSINE KINASE ABL1, BTK, ABL2 TSHR 2734/4885ALDH1A1 4019/4885TDP1 365/4885
US-20120101113-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 TSHR 3200/4885ALDH1A1 4117/4885TDP1 284/4885
US-20200276199-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN TSHR 2102/4885ALDH1A1 4521/4885TDP1 348/4885
US-20110224235-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS BTK, ABL1, LYN TSHR 2102/4885ALDH1A1 4521/4885TDP1 348/4885
US-20120065201-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 TSHR 3200/4885ALDH1A1 4117/4885TDP1 284/4885

“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.