SCHEMBL9995640

SCHEMBL9995640

CNCCCS(=O)(=O)CCCCC(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.34
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
FAAH O00519 3/20 0.31
CES2 O00748 2/20 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
SCHEMBL6852532 0.95 CES1 (0.32) CES1CA1CA2
SCHEMBL9995713 0.93 CES1 (0.34) CES1FAAHCES2
SCHEMBL15013824 0.91 CES1 (0.37) CES1CA2FAAHCES2
SCHEMBL15013711 0.91 CES1 (0.37) CES1CA2FAAHCES2
SCHEMBL9995596 0.91 CES1 (0.32) CES1
SCHEMBL9995734 0.89 CES1 (0.34) CES1FAAHCES2
SCHEMBL9995625 0.85 CES1 (0.33) CES1CA2FAAHCES2
SCHEMBL14775193 0.84 CES1 (0.38) CES1CA1CA2FAAHCES2
SCHEMBL9995707 0.84 CES1 (0.35) CES1CA2FAAHCES2
SCHEMBL9995635 0.80 CES1 (0.32) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130253198-A1 IRIDIUM-CONTAINING ORGANIC ELECTROLUMINESCENT MATERIAL, PREPARATION METHOD AND ORGANIC ELECTROLUMINESCENT DEVICE THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 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-2585435-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) 2013-05-01 EP disclosed
WO-2011161101-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 PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-29 WO disclosed
WO-2011161101-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 PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-29 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 (1 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-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

“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.