SCHEMBL6825510

SCHEMBL6825510

COc1cccc2c1CCC(Cc1c[nH]cn1)=C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.35
ADRA1A P35348 1/20 0.35
PTGIR P43119 1/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
ABL1 P00519 1/20 0.32
RAD52 P43351 1/20 0.32
RIN1 Q13671 1/20 0.32
CYP11B2 P19099 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
DRD4 P21917 2/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTR1A P08908 1/20 0.30
TSHR P16473 1/20 0.30
HTR5A P47898 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Hydrochloric Acid SCHEMBL7166477 0.99 ADRA2A (0.34) ADRA2AADRA1APTGIRDRD2DRD3
SCHEMBL8411286 0.86 PTGIR (0.35) PTGIRALDH1A1TSHR
SCHEMBL8411284 0.83 PTGIR (0.50) PTGIRALDH1A1
SCHEMBL6825486 0.75 CYP11B2 (0.41) DRD2DRD3DRD1DRD5CYP11B2
SCHEMBL6822438 0.75 CYP11B1 (0.45) CYP11B2ALDH1A1
SCHEMBL6825523 0.75 CYP19A1 (0.38) ADRA2AADRA1AHTR1A
SCHEMBL6825674 0.75 CYP19A1 (0.47) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7167789 0.74 CYP11B1 (0.44) CYP11B2ALDH1A1
SCHEMBL6822437 0.73 CYP19A1 (0.34) ADRA2AADRA1AHTR1A
SCHEMBL7777402 0.73 NOTUM (0.38) DRD2DRD3DRD1DRD5ALDH1A1

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 ADRA2A 1202/4885ADRA1A 1122/4885PTGIR 209/4885

“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.