SCHEMBL9995705

SCHEMBL9995705

COc1ccc2c(c1)CCCC(c1ccc(F)c(F)c1)=C2CCCCCCO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.43
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS2 P35354 3/20 0.37
PTGS1 P23219 1/20 0.35
CYP19A1 P11511 2/20 0.34
CYP11B2 P19099 2/20 0.34

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
SCHEMBL12074174 0.99 ESR1 (0.43) ESR1ALDH1A1MAPTKMT2ATDP1
SCHEMBL15028674 0.92 ESR1 (0.44) ESR1ALDH1A1MAPTKMT2ATDP1
SCHEMBL15028675 0.92 PTGS2 (0.44) ESR1ALDH1A1MAPTKMT2ATDP1
SCHEMBL15028571 0.92 ESR1 (0.44) ESR1ALDH1A1MAPTKMT2ATDP1
SCHEMBL15263129 0.90 ESR1 (0.47) ESR1ALDH1A1MAPTKMT2ATDP1
SCHEMBL12072305 0.90 ESR1 (0.47) ESR1ALDH1A1MAPTKMT2ATDP1
SCHEMBL15028586 0.89 ESR1 (0.50) ESR1ALDH1A1PTGS2PTGS1CYP19A1
SCHEMBL15028666 0.89 ESR1 (0.50) ESR1ALDH1A1PTGS2PTGS1CYP19A1
SCHEMBL15028570 0.89 ESR1 (0.40) ESR1ALDH1A1MAPTKMT2ATDP1
SCHEMBL9995795 0.88 ESR1 (0.42) ESR1ALDH1A1MAPTKMT2ATDP1

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 6 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-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 ESR1 8/4885ALDH1A1 465/4885MAPT 1326/4885

“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.