SCHEMBL15028574

SCHEMBL15028574

OCCCCCC1=C(c2cccnc2)CCCc2cc(O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.45
CYP11B1 P15538 8/20 0.41
CYP11B2 P19099 8/20 0.41
CYP19A1 P11511 3/20 0.41
CYP17A1 P05093 3/20 0.40
CYP3A4 P08684 2/20 0.40
MIF P14174 1/20 0.38
CYP1A2 P05177 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PRKCI P41743 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL15012750 1.00 ESR1 (0.45) ESR1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15012940 0.91 ESR1 (0.44) ESR1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15012587 0.91 ESR1 (0.44) ESR1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15012964 0.87 ESR1 (0.49) ESR1MAOAMAOBPRKCI
SCHEMBL15028572 0.87 ESR1 (0.49) ESR1MAOAMAOBPRKCI
SCHEMBL15028583 0.86 CYP11B2 (0.48) ESR1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15028582 0.86 CYP11B2 (0.48) ESR1CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL15012615 0.85 ESR1 (0.41) ESR1MAOAMAOBPRKCI
SCHEMBL15012508 0.85 ESR1 (0.41) ESR1MAOAMAOBPRKCI
SCHEMBL15012953 0.84 ESR1 (0.46) ESR1MAOAMAOBPRKCI

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 ESR1 4/4885CYP11B1 48/4885CYP11B2 88/4885

“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.