SCHEMBL6852532

SCHEMBL6852532

CNCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL9995640 0.95 CES1 (0.34) CES1CA1CA2
SCHEMBL9995713 0.95 CES1 (0.34) CES1
SCHEMBL15013711 0.93 CES1 (0.37) CES1CA2
SCHEMBL15013824 0.93 CES1 (0.37) CES1CA2
SCHEMBL9995596 0.93 CES1 (0.32) CES1
SCHEMBL9995734 0.87 CES1 (0.34) CES1
SCHEMBL9995800 0.85 CES1 (0.30) CES1
SCHEMBL14775555 0.84 CES1 (0.35) CES1CA1CA2
SCHEMBL15262996 0.82 CES1 (0.30) CES1
SCHEMBL15013837 0.82 CYP2C19 (0.35) CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US disclosed
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US disclosed
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-19 US disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2788321-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS THAT CONTAIN SAID 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, AND USE THEREOF TO PRODUCE DRUGS Bayer Intellectual Property GmbH (DE) 2014-10-15 EP disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
US-20130252890-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-26 US disclosed
US-20130252890-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-26 US disclosed
US-20130252890-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-26 US disclosed
EP-1054676-A1 COMBINATION PREPARATION OF ESTROGEN AND ANTI-ESTROGEN SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-29 EP disclosed
EP-1042355-A1 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS Schering Aktiengesellschaft (DE) 2000-10-11 EP disclosed
US-5986115-A STEROIDS WITH FLUORO GROUPS AND ETHER OR ESTER GROUPS SCHERING AG (DE) 1999-11-16 US disclosed
WO-1999042109-A1 COMBINATION PREPARATION OF ESTROGEN AND ANTI-ESTROGEN SCHERING AKTIENGESELLSCHAFT (DE) 1999-08-26 WO disclosed
WO-1999033855-A1 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-08 WO disclosed
EP-0920441-A1 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 7ALPHA-(EPSILON-AMINOALKYL)-ESTRATRIENES AND THEIR USE FOR PREPARING MEDICAMENT SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
EP-0906332-A1 7$g(a)-(5-METHYLAMINOPENTYL)-ESTRATRIENES, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS WHICH CONTAIN SAID 7$g(a)-(5-METHYLAMINOPENTYL)-ESTRATRIENES AND USE THEREOF FOR PRODUCTION OF DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
US-5866560-A ESTROGEN INHIBITORS; TUMOR THERAPY; HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 1999-02-02 US disclosed
WO-1998007740-A1 7α-(κ-AMINOALKYL)ESTRATRIENES, PROCESS FOR PREPARING THE SAME, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 7α-(κ-AMINOALKYL)ESTRATRIENES AND THEIR USE FOR PREPARING MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
WO-1997045441-A1 7α-(5-METHYLAMINOPENTYL)-ESTRATRIENES, PROCESS FOR THE PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS WHICH CONTAIN SAID 7α-(5-METHYLAMINOPENTYL)-ESTRATRIENES AND USE THEREOF FOR PRODUCTION OF DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-04 WO 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 CES1 1333/4885CA1 916/4885CA2 189/4885
US-20130252890-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS CYP19A1, SHBG, ESR2 CES1 2342/4885CA1 3447/4885CA2 3883/4885
US-20150080438-A1 6,7-Dihydro-5H-benzo[7]annulene derivatives, processes for their preparation, pharmaceutical products comprising them and their use for preparing medicaments CYP19A1, SHBG, ESR2 CES1 2211/4885CA1 4133/4885CA2 4231/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 CES1 1333/4885CA1 916/4885CA2 189/4885

“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.