SCHEMBL6825354

SCHEMBL6825354

O=C1c2ccccc2CCC1Cc1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.73
SIGMAR1 Q99720 3/20 0.57
HTR1A P08908 2/20 0.57
ACHE P22303 1/20 0.47

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
SCHEMBL3761876 0.85 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1AACHE
SCHEMBL28733987 0.85 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1AACHE
SCHEMBL30275056 0.85 CYP19A1 (0.80) CYP19A1SIGMAR1HTR1AACHE
SCHEMBL13851845 0.85 CYP19A1 (1.00) CYP19A1SIGMAR1HTR1A
SCHEMBL450331 0.84 CYP19A1 (0.57) CYP19A1SIGMAR1HTR1A
SCHEMBL6827906 0.81 CYP19A1 (0.76) CYP19A1
SCHEMBL6822323 0.81 CYP19A1 (0.76) CYP19A1SIGMAR1ACHE
SCHEMBL6827752 0.79 CYP19A1 (0.77) CYP19A1ACHE
SCHEMBL10033952 0.77 SIGMAR1 (0.70) CYP19A1SIGMAR1HTR1AACHE
SCHEMBL7247938 0.76 CYP19A1 (0.70) CYP19A1SIGMAR1HTR1AACHE

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 1/4885SIGMAR1 4364/4885HTR1A 827/4885

“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.