SCHEMBL15028516

SCHEMBL15028516

COc1ccc2c(c1)CCCC(c1ccccc1)=C2CCCCCCO

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.56
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NQO2 P16083 1/20 0.40
ACHE P22303 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPY5R Q15761 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP27A1 Q02318 1/20 0.38
CYP24A1 Q07973 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL15028579 1.00 ESR1 (0.56) ESR1EBPSIGMAR1NQO2ACHE
SCHEMBL15028586 0.93 ESR1 (0.50) ESR1EBPSIGMAR1ALDH1A1KDM4E
SCHEMBL15028666 0.93 ESR1 (0.50) ESR1EBPSIGMAR1ALDH1A1KDM4E
SCHEMBL15012921 0.92 ESR1 (0.47) ESR1EBPSIGMAR1MAPTMAPK1
SCHEMBL15012947 0.92 ESR1 (0.47) ESR1EBPSIGMAR1MAPTMAPK1
SCHEMBL12072305 0.89 ESR1 (0.47) ESR1EBPSIGMAR1MAPTMAPK1
SCHEMBL15263129 0.89 ESR1 (0.47) ESR1EBPSIGMAR1MAPTMAPK1
SCHEMBL15263250 0.89 ESR1 (0.44) ESR1EBPSIGMAR1MAPTMAOA
SCHEMBL15028583 0.88 CYP11B2 (0.48) ESR1NPY5R
SCHEMBL15028582 0.88 CYP11B2 (0.48) ESR1NPY5R

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 4/4885EBP 288/4885SIGMAR1 3185/4885

“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.