SCHEMBL15028583

SCHEMBL15028583

COc1ccc2c(c1)CCCC(c1cccnc1)=C2CCCCCCO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 16/20 0.48
CYP11B1 P15538 14/20 0.48
CYP19A1 P11511 9/20 0.48
NPY5R Q15761 1/20 0.44
ESR1 P03372 1/20 0.44
CYP17A1 P05093 2/20 0.42
CYP3A4 P08684 1/20 0.42
MIF P14174 1/20 0.41
PTAFR P25105 1/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL15028582 1.00 CYP11B2 (0.48) CYP11B2CYP11B1CYP19A1NPY5RESR1
SCHEMBL15028579 0.88 ESR1 (0.56) NPY5RESR1
SCHEMBL15028516 0.88 ESR1 (0.56) NPY5RESR1
SCHEMBL15012921 0.87 ESR1 (0.47) CYP11B2CYP11B1CYP19A1ESR1
SCHEMBL15012947 0.87 ESR1 (0.47) CYP11B2CYP11B1CYP19A1ESR1
SCHEMBL15012750 0.86 ESR1 (0.45) CYP11B2CYP11B1CYP19A1ESR1CYP17A1
SCHEMBL15028574 0.86 ESR1 (0.45) CYP11B2CYP11B1CYP19A1ESR1CYP17A1
SCHEMBL15028666 0.85 ESR1 (0.50) CYP11B2CYP19A1ESR1
SCHEMBL15028586 0.85 ESR1 (0.50) CYP11B2CYP19A1ESR1
SCHEMBL15263250 0.83 ESR1 (0.44) CYP11B2CYP19A1ESR1

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 4 patents. 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
WO-2013083568-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) 2013-06-13 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-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 CYP11B2 88/4885CYP11B1 48/4885CYP19A1 1/4885

“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.