SCHEMBL6825925

SCHEMBL6825925

CC1=C(Cc2c[nH]cn2)CCc2cc(OCC(C)C)ccc21

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
CYP17A1 P05093 1/20 0.47
S1PR1 P21453 18/20 0.40
S1PR3 Q99500 12/20 0.40

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
SCHEMBL6822380 0.88 CYP19A1 (0.49) CYP19A1CYP17A1S1PR1S1PR3
SCHEMBL6825052 0.86 CYP19A1 (0.61) CYP19A1CYP17A1S1PR1
SCHEMBL6825569 0.86 CYP19A1 (0.47) CYP19A1CYP17A1S1PR1S1PR3
SCHEMBL6825366 0.79 TYMS (0.41) CYP19A1CYP17A1
Hydrochloric Acid SCHEMBL6825962 0.78 TYMS (0.40) CYP19A1CYP17A1
SCHEMBL6822421 0.77 CYP19A1 (0.50) CYP19A1CYP17A1
SCHEMBL6825886 0.74 CYP19A1 (0.48) CYP19A1
SCHEMBL6825247 0.73 CYP19A1 (0.46) CYP19A1CYP17A1
SCHEMBL6825253 0.72 CYP19A1 (0.44) CYP19A1CYP17A1S1PR1S1PR3
SCHEMBL6827569 0.71 NPC1 (0.49) CYP19A1

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 5 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 claimed
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 1/4885CYP17A1 3/4885S1PR1 4699/4885

“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.