SCHEMBL6825286

SCHEMBL6825286

COc1ccc2c(c1)C(c1ccccc1)=C(Cc1c[nH]cn1)CC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.45
MAOB P27338 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
EBP Q15125 1/20 0.39
CYP19A1 P11511 6/20 0.39
CYP17A1 P05093 1/20 0.37
ACHE P22303 1/20 0.36
MAPK14 Q16539 1/20 0.36
PPARG P37231 2/20 0.35
MAOA P21397 2/20 0.35
ESR1 P03372 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP11B2 P19099 2/20 0.34

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
SCHEMBL6822352 0.92 EBP (0.48) NPY5RSIGMAR1EBPCYP19A1CYP17A1
SCHEMBL6822421 0.83 CYP19A1 (0.50) NPY5RMAOBSIGMAR1CYP19A1CYP17A1
SCHEMBL6825388 0.81 CYP19A1 (0.39) NPY5RSIGMAR1CYP19A1CYP17A1ALDH1A1
SCHEMBL6825819 0.78 NPC1 (0.36) SIGMAR1CYP19A1NPC1RAB9A
SCHEMBL6822297 0.78 CYP19A1 (0.43) SIGMAR1EBPCYP19A1CYP17A1ACHE
SCHEMBL6825052 0.77 CYP19A1 (0.61) CYP19A1CYP17A1NPC1ALDH1A1LMNA
SCHEMBL6825247 0.75 CYP19A1 (0.46) CYP19A1CYP17A1NPC1ALDH1A1LMNA
SCHEMBL6825366 0.73 TYMS (0.41) CYP19A1CYP17A1ALDH1A1LMNARAB9A
SCHEMBL6825253 0.73 CYP19A1 (0.44) CYP19A1CYP17A1NPC1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6825962 0.73 TYMS (0.40) CYP19A1CYP17A1ALDH1A1LMNARAB9A

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 NPY5R 2446/4885MAOB 134/4885SIGMAR1 4364/4885

“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.