SCHEMBL16697371

SCHEMBL16697371

COc1cccc(Cn2cc(-c3ccc(C(=O)O)cc3)c3ncc(-c4c(C)noc4C)cc32)n1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.56
BRD2 P25440 2/20 0.43
TAS2R8 Q9NYW2 3/20 0.41
CREBBP Q92793 1/20 0.38

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
SCHEMBL16697112 0.93 BRD4 (0.51) BRD4BRD2TAS2R8
SCHEMBL16697885 0.91 BRD4 (0.59) BRD4BRD2CREBBP
SCHEMBL16697140 0.87 BRD4 (0.69) BRD4BRD2
SCHEMBL16697023 0.86 BRD4 (0.51) BRD4BRD2
SCHEMBL16696893 0.85 BRD4 (0.60) BRD4BRD2CREBBP
SCHEMBL16697074 0.85 BRD4 (0.65) BRD4BRD2CREBBP
SCHEMBL19183777 0.84 BRD4 (0.58) BRD4BRD2CREBBP
SCHEMBL16696952 0.84 BRD4 (0.60) BRD4BRD2
SCHEMBL16697571 0.83 BRD4 (0.57) BRD4BRD2CREBBP
SCHEMBL16697160 0.82 BRD4 (0.52) BRD4TAS2R8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PLEXXIKON INC. (US) 2017-11-09 US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 US disclosed
US-9718847-B2 Heterocyclic compounds and uses thereof PLEXXIKON INC. (US) 2017-08-01 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 US disclosed
US-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Opna Bio SA (CH) 2015-05-14 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 (2 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-20150133400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885BRD2 2805/4885TAS2R8 3360/4885
US-20170320899-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP11B2, CYP11B1, CYP2C19 BRD4 1365/4885BRD2 2805/4885TAS2R8 3360/4885

“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.