SCHEMBL4127957

SCHEMBL4127957

CCOC(=O)c1cccc2c3c(n(Cc4ccc(F)cc4)c12)CCN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
FABP4 P15090 10/20 0.50
FABP3 P05413 2/20 0.42
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL4132839 0.90 HDAC1 (0.53) HDAC1HDAC6FABP4FABP3SMN1; SMN2
SCHEMBL4132437 0.86 HDAC1 (0.49) HDAC1HDAC6FABP4FABP3SMN1; SMN2
SCHEMBL4132685 0.78 FABP4 (0.56) HDAC1HDAC6FABP4FABP3
SCHEMBL14067833 0.77 HDAC1 (0.49) HDAC1HDAC6PTGDRPTGDR2ADORA1
SCHEMBL4146181 0.76 HRH1 (0.47) HDAC1HDAC6FABP4FABP3SMN1; SMN2
SCHEMBL14067645 0.74 HDAC1 (0.48) HDAC1HDAC6PTGDRPTGDR2ADORA1
SCHEMBL30670170 0.74 ADORA1 (0.51) SMN1; SMN2ADORA1
SCHEMBL20558294 0.74 ADORA1 (0.51) SMN1; SMN2ADORA1
SCHEMBL31390477 0.74 HDAC6 (0.82) HDAC1HDAC6
SCHEMBL31390496 0.74 HDAC6 (0.82) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8999978-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20140194414-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-10 US disclosed
US-20130203746-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES INC. 2013-08-08 US disclosed
US-20130190304-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130131054-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 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 (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-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885

“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.