SCHEMBL15645124

SCHEMBL15645124

C=CCCN(CCC=C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 2/20 0.44
HDAC6 Q9UBN7 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
SSTR4 P31391 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL21425191 0.91 CA14 (0.38) CA14HDAC6L3MBTL1HDAC1HDAC2
SCHEMBL15694959 0.91 CA14 (0.38) CA14HDAC6L3MBTL1HDAC1HDAC2
SCHEMBL25247476 0.90 CA14 (0.41) CA14HDAC6L3MBTL1HDAC1HDAC2
SCHEMBL20055158 0.88 CA14 (0.36) CA14HDAC6L3MBTL1HDAC1HDAC2
SCHEMBL16967933 0.87 CA14 (0.37) CA14HDAC6L3MBTL1
SCHEMBL16893294 0.87 CA14 (0.35) CA14HDAC6L3MBTL1ALDH1A1
SCHEMBL24840513 0.87 CA14 (0.35) CA14HDAC6L3MBTL1HDAC1HDAC2
SCHEMBL24447239 0.85 CA14 (0.35) CA14HDAC6L3MBTL1
SCHEMBL6538686 0.85 HDAC6 (0.37) CA14HDAC6HDAC1HDAC2ALDH1A1
SCHEMBL2526136 0.85 HDAC6 (0.39) CA14HDAC6L3MBTL1HDAC1HDAC2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-10155777-B2 Trans-cycloheptenes and hetero-trans-cycloheptenes for bioorthogonal coupling UNIVERSITY OF DELAWARE (US) 2018-12-18 US disclosed
US-20180072761-A1 TRANS-CYCLOHEPTENES AND HETERO-TRANS-CYCLOHEPTENES FOR BIOORTHOGONAL COUPLING UNIVERSITY OF DELAWARE (US) 2018-03-15 US disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
WO-2016164565-A1 TRANS-CYCLOHEPTENES AND HETERO-TRANS-CYCLOHEPTENES FOR BIOORTHOGONAL COUPLING UNIVERSITY OF DELAWARE (US) 2016-10-13 WO disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
EP-2900666-A1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C Ignyta, Inc. (US) 2015-08-05 EP disclosed
WO-2014052699-A9 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-07-16 WO disclosed
US-20140113882-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-04-24 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-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE CA14 4385/4885HDAC6 1349/4885L3MBTL1 3692/4885
US-20140113882-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE CA14 4461/4885HDAC6 1387/4885L3MBTL1 3627/4885
US-10155777-B2 Trans-cycloheptenes and hetero-trans-cycloheptenes for bioorthogonal coupling HCRTR2, HCRTR1, CRHR2 CA14 3182/4885HDAC6 1956/4885L3MBTL1 2230/4885
US-20180072761-A1 TRANS-CYCLOHEPTENES AND HETERO-TRANS-CYCLOHEPTENES FOR BIOORTHOGONAL COUPLING HCRTR2, HCRTR1, CRHR2 CA14 3182/4885HDAC6 1956/4885L3MBTL1 2230/4885

“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.