SCHEMBL6825819

SCHEMBL6825819

COc1cccc2c1CCC(Cc1c[nH]cn1)=C2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
CYP19A1 P11511 2/20 0.35
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
SIGMAR1 Q99720 4/20 0.33
HTR1A P08908 1/20 0.33
PDGFRB P09619 1/20 0.33
HTR7 P34969 1/20 0.33
ABCB1 P08183 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL6825523 0.84 CYP19A1 (0.38) NPC1RAB9ACYP19A1SIGMAR1HTR1A
SCHEMBL6822437 0.82 CYP19A1 (0.34) NPC1RAB9ACYP19A1SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL6825875 0.81 CYP19A1 (0.34) NPC1RAB9ACYP19A1SIGMAR1HTR1A
SCHEMBL6825261 0.80 CYP19A1 (0.33) NPC1RAB9ACYP19A1SIGMAR1HTR1A
SCHEMBL6825286 0.78 NPY5R (0.45) NPC1RAB9ACYP19A1SIGMAR1
SCHEMBL6822352 0.78 EBP (0.48) NPC1RAB9ACYP19A1SIGMAR1
SCHEMBL7586084 0.76 HTR7 (0.50) NPC1RAB9ACYP19A1FGFR1SRC
SCHEMBL6825682 0.75 CYP19A1 (0.33) CYP19A1
Hydrochloric Acid SCHEMBL8002527 0.75 HTR7 (0.49) NPC1RAB9ACYP19A1FGFR1SRC
SCHEMBL9094206 0.72 NPC1 (0.38) NPC1RAB9ACYP19A1SIGMAR1HTR1A

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 NPC1 4578/4885RAB9A 4005/4885JAK2 3106/4885

“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.