SCHEMBL6822323

SCHEMBL6822323

COc1ccc2c(c1)CCC(Cc1cccnc1)C2=O

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.76
CYP24A1 Q07973 6/20 0.65
CYP26A1 O43174 3/20 0.65
CYP27A1 Q02318 3/20 0.62
DRD2 P14416 2/20 0.53
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR2B P41595 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
PDE4D Q08499 1/20 0.52
ACHE P22303 2/20 0.51
MIF P14174 1/20 0.50

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
SCHEMBL6827906 0.91 CYP19A1 (0.76) CYP19A1CYP24A1CYP26A1CYP27A1PDE4D
SCHEMBL7245357 0.87 CYP24A1 (0.80) CYP19A1CYP24A1CYP26A1CYP27A1DRD2
SCHEMBL6827615 0.86 CYP19A1 (1.00) CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL6825354 0.81 CYP19A1 (0.73) CYP19A1SIGMAR1ACHE
SCHEMBL17313346 0.81 CYP24A1 (0.73) CYP19A1CYP24A1CYP26A1CYP27A1ACHE
SCHEMBL8465989 0.80 CYP3A4 (0.64) CYP19A1PDE4D
SCHEMBL10681848 0.79 CYP19A1 (0.48) CYP19A1CYP24A1CYP26A1CYP27A1PDE4D
SCHEMBL8159828 0.79 CYP26A1 (0.78) CYP19A1CYP24A1CYP26A1CYP27A1DRD2
SCHEMBL29915619 0.79 CYP19A1 (0.67) CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL6827752 0.79 CYP19A1 (0.77) CYP19A1HTR2CPDE4DACHE

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
EP-1028110-B1 NOVEL DIHYDRONAPHTHALENE COMPOUNDS AND PROCESS FOR PRODUCING THE SAME DAIICHI SEIYAKU CO (JP) 2004-04-14 EP disclosed
US-6559157-B2 Excellent 17 alpha - hydroxylase/C17-20-lyase and aromatase inhibiting activity, thromboxan A2 synthesis inhibiting activity, useful as preventive and/or therapeutic agents for various male and female sex hormone dependent diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-05-06 US disclosed
US-20020032211-A1 Novel dihydronaphthalene compounds and processes of producing the same DAIICHI PHARMACEUTICALS CO., LTD. (JP) 2002-03-14 US disclosed
EP-1028110-A1 NOVEL DIHYDRONAPHTHALENE COMPOUNDS AND PROCESS FOR PRODUCING THE SAME Yukijirushi Nyugyo Kabushiki Kaisha (JP) 2000-08-16 EP 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-20020032211-A1 Novel dihydronaphthalene compounds and processes of producing the same CYP19A1, HSD17B11, CYP17A1 CYP19A1 1/4885CYP24A1 180/4885CYP26A1 107/4885

“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.