SCHEMBL6827752

SCHEMBL6827752

COc1cccc2c1CCC(Cc1cccnc1)C2=O

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.77
PDE4D Q08499 2/20 0.53
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ACHE P22303 1/20 0.44
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
HTR2C P28335 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
SCHEMBL6825465 0.87 CYP19A1 (1.00) CYP19A1PDE4DKDM4ELMNAPOLB
SCHEMBL6825354 0.79 CYP19A1 (0.73) CYP19A1ACHE
SCHEMBL6827906 0.79 CYP19A1 (0.76) CYP19A1PDE4D
SCHEMBL6822323 0.79 CYP19A1 (0.76) CYP19A1PDE4DACHEHTR2C
SCHEMBL15700133 0.78 CYP19A1 (0.67) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL6381232 0.76 CYP19A1 (1.00) CYP19A1PDE4DACHE
SCHEMBL20460326 0.75 CYP19A1 (0.64) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL6822347 0.75 CYP19A1 (0.64) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL3822324 0.74 CYP19A1 (0.62) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL8875326 0.74 CYP19A1 (0.62) CYP19A1KDM4ELMNAPOLBMAPT

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 1/4885PDE4D 1761/4885KDM4E 3103/4885

“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.