SCHEMBL528970

SCHEMBL528970

CC(C)C1Oc2c(Br)cccc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 12/20 0.38
PARP1 P09874 1/20 0.37
CREBBP Q92793 5/20 0.35
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
BRPF1 P55201 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCC9 O60706 1/20 0.31
KCNJ11 Q14654 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
SCHEMBL4971260 0.83 BRD4 (0.52) BRD4PARP1CREBBPLMNAGAA
SCHEMBL10358737 0.82 NR3C1 (0.38) BRD4PARP1CREBBPLMNAMEN1
SCHEMBL10358533 0.82 BRD4 (0.41) BRD4PARP1CREBBPLMNAGAA
SCHEMBL4898103 0.82 BRD4 (0.41) BRD4PARP1CREBBPLMNAGAA
SCHEMBL10359070 0.82 BRD4 (0.38) BRD4PARP1CREBBPLMNAGAA
SCHEMBL4969155 0.82 MEN1 (0.40) BRD4PARP1CREBBPLMNAMEN1
SCHEMBL4971589 0.81 LMNA (0.38) BRD4PARP1CREBBPLMNAGAA
SCHEMBL2070598 0.80 PARP1 (0.56) BRD4PARP1CREBBPBRPF1
SCHEMBL20983200 0.80 PARP1 (0.56) BRD4PARP1CREBBPBRPF1
SCHEMBL4968933 0.79 BRD4 (0.37) BRD4PARP1CREBBPLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598511-B1 NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS ECOLE NAT SUPERIEURE DE CHIMIE DE RENNES (FR) 2018-07-04 EP disclosed
US-8835628-B2 Stable and highly tunable metathesis catalysts ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2014-09-16 US disclosed
US-8835628-B2 Stable and highly tunable metathesis catalysts ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2014-09-16 US disclosed
US-8835628-B2 Stable and highly tunable metathesis catalysts ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2014-09-16 US disclosed
US-20130197218-A1 NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS CENTRE NATIONAL DE LA RECHERCE SCIENTIFIQUE CNRS (FR) 2013-08-01 US disclosed
US-20130197218-A1 NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS CENTRE NATIONAL DE LA RECHERCE SCIENTIFIQUE CNRS (FR) 2013-08-01 US disclosed
US-20130197218-A1 NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS CENTRE NATIONAL DE LA RECHERCE SCIENTIFIQUE CNRS (FR) 2013-08-01 US disclosed
EP-2598511-A1 NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS Ecole Nationale Superieure de Chimie de Rennes (FR) 2013-06-05 EP disclosed
WO-2012013208-A1 NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2012-02-02 WO disclosed
WO-2012013208-A1 NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS ECOLE NATIONALE SUPERIEURE DE CHIMIE DE RENNES (FR) 2012-02-02 WO disclosed
EP-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20130197218-A1 NOVEL STABLE AND HIGHLY TUNABLE METATHESIS CATALYSTS CYP4F11, CYP2F1, MPI BRD4 3258/4885PARP1 1677/4885CREBBP 3679/4885
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 BRD4 3303/4885PARP1 4774/4885CREBBP 2067/4885

“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.