SCHEMBL9995702

SCHEMBL9995702

Oc1cc2c(cc1F)C(CCCCCCBr)=C(c1ccc(F)cc1)CCC2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
MAPK14 Q16539 1/20 0.33
HTT P42858 1/20 0.31
HSD17B1 P14061 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL15012810 0.91 HSD17B1 (0.31) PTGS1PTGS2HSD17B1
SCHEMBL9995679 0.90 MAPK14 (0.34) PTGS1PTGS2MAPK14HTTHSD17B1
SCHEMBL9995717 0.85 ESR1 (0.43) HSD17B1ESR1ESR2
SCHEMBL9995690 0.85 ESR1 (0.43) HSD17B1ESR1ESR2
SCHEMBL15275169 0.82 ICMT (0.32)
SCHEMBL15012662 0.81 BCHE (0.32) PTGS1PTGS2HSD17B1
SCHEMBL15012619 0.81 HSD17B1 (0.39) HSD17B1ESR1ESR2
SCHEMBL15012956 0.81 ESR1 (0.36) HSD17B1ESR1ESR2
SCHEMBL15012936 0.81 ESR1 (0.36) HSD17B1ESR1ESR2
SCHEMBL9995739 0.79 ESR1 (0.35) PTGS1PTGS2MAPK14HTTESR1

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
WO-2015028409-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-05 WO 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-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 PTGS1 390/4885PTGS2 1080/4885MAPK14 2979/4885

“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.