SCHEMBL6822347

SCHEMBL6822347

COc1cccc2c1CCC(Cc1c[nH]cn1)C2=O

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.64
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ACHE P22303 1/20 0.44
HTR2C P28335 4/20 0.43
CYP24A1 Q07973 2/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
CYP27A1 Q02318 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP26A1 O43174 1/20 0.36

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
SCHEMBL20460326 1.00 CYP19A1 (0.64) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL6827897 0.91 CYP19A1 (0.53) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL7041780 0.83 ADRA1A (0.47) CYP19A1ADRA2AADRA1A
SCHEMBL337671 0.79 CYP19A1 (0.58) CYP19A1MAPTACHECYP26A1
SCHEMBL7039364 0.79 HTR1A (0.44) DRD2
SCHEMBL6825465 0.78 CYP19A1 (1.00) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL15700133 0.78 CYP19A1 (0.67) CYP19A1KDM4ELMNAPOLBMAPT
SCHEMBL6923943 0.77 CYP19A1 (0.64) CYP19A1ACHECYP24A1CYP27A1CYP26A1
SCHEMBL7038123 0.77 SIGMAR1 (0.49) ADRA2AADRA1A
SCHEMBL1339177 0.76 CYP19A1 (0.42) CYP19A1ACHECYP26A1

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-2288351-B1 NOVEL PYRROLIDONE DERIVATIVES FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2018-08-08 EP disclosed
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 1/4885KDM4E 3103/4885LMNA 1404/4885

“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.