SCHEMBL15028655

SCHEMBL15028655

COc1ccc2c(c1)CCCC(c1cc(OC)ccc1F)C2=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.47
CYP27A1 Q02318 3/20 0.47
CYP26A1 O43174 3/20 0.46
CYP19A1 P11511 1/20 0.45
MAPK14 Q16539 4/20 0.42
METAP1 P53582 2/20 0.41
GID4 Q8IVV7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9995710 0.94 MAPK14 (0.47) CYP24A1CYP27A1CYP26A1CYP19A1MAPK14
SCHEMBL16567972 0.92 CYP24A1 (0.51) CYP24A1CYP27A1CYP26A1CYP19A1MAPK14
SCHEMBL15263331 0.90 CYP24A1 (0.51) CYP24A1CYP27A1CYP26A1CYP19A1MAPK14
SCHEMBL15263188 0.87 MAPK14 (0.49) CYP24A1CYP27A1CYP26A1CYP19A1MAPK14
SCHEMBL12698728 0.86 CYP24A1 (0.46) CYP24A1CYP27A1CYP26A1CYP19A1METAP1
SCHEMBL9995684 0.85 SLC6A2 (0.49) CYP24A1CYP27A1CYP26A1CYP19A1MAPK14
SCHEMBL15012685 0.83 CYP24A1 (0.44) CYP24A1CYP27A1CYP26A1CYP19A1MAPK14
SCHEMBL9995721 0.82 CYP24A1 (0.47) CYP24A1CYP27A1CYP26A1CYP19A1MAPK14
SCHEMBL9995652 0.82 CYP24A1 (0.47) CYP24A1CYP27A1CYP26A1CYP19A1MAPK14
SCHEMBL26187133 0.82 CYP24A1 (0.42) CYP24A1CYP27A1CYP26A1CYP19A1METAP1

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 3 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
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 CYP24A1 32/4885CYP27A1 187/4885CYP26A1 37/4885

“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.