SCHEMBL6825261

SCHEMBL6825261

CCCC1=C(Cc2c[nH]cn2)CCc2c(OC)cccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.33
SIGMAR1 Q99720 5/20 0.33
ABCB1 P08183 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL6822437 0.91 CYP19A1 (0.34) CYP19A1SIGMAR1ABCB1NPC1RAB9A
Hydrochloric Acid SCHEMBL6825875 0.90 CYP19A1 (0.34) CYP19A1SIGMAR1ABCB1NPC1RAB9A
SCHEMBL6825523 0.84 CYP19A1 (0.38) CYP19A1SIGMAR1ABCB1NPC1RAB9A
SCHEMBL6825819 0.80 NPC1 (0.36) CYP19A1SIGMAR1ABCB1NPC1RAB9A
SCHEMBL7457634 0.78 CYP19A1 (0.48) CYP19A1DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL7453886 0.77 CYP19A1 (0.47) CYP19A1DRD2DRD4DRD3
SCHEMBL6825682 0.77 CYP19A1 (0.33) CYP19A1
SCHEMBL6825253 0.77 CYP19A1 (0.44) CYP19A1NPC1RAB9A
SCHEMBL9094206 0.72 NPC1 (0.38) CYP19A1SIGMAR1ABCB1NPC1RAB9A
SCHEMBL6825510 0.72 ADRA2A (0.35) ADRA2AADRA1ADRD2DRD4DRD3

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 1/4885SIGMAR1 4364/4885ABCB1 2292/4885

“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.