SCHEMBL5607604

SCHEMBL5607604

C1=C(c2ccccc2)CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.68
CYP11B1 P15538 6/20 0.68
CYP19A1 P11511 2/20 0.68
NISCH Q9Y2I1 1/20 0.51
PTGS2 P35354 2/20 0.47
KDM1A O60341 1/20 0.44
GPR84 Q9NQS5 1/20 0.41
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 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
SCHEMBL29683776 1.00 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL5607529 0.85 CYP11B2 (0.57) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL10402898 0.84 CYP11B1 (0.56) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL11466575 0.84 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL11209313 0.84 CYP11B1 (0.56) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL2627023 0.82 CYP11B2 (0.54) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL31608568 0.82 CYP11B2 (0.65) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL319265 0.82 CYP11B2 (0.65) CYP11B2CYP11B1CYP19A1NISCHPTGS2
SCHEMBL4508891 0.82 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1NISCH
SCHEMBL31666281 0.80 CYP11B2 (0.62) CYP11B2CYP11B1CYP19A1NISCHPTGS2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230084690-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2023-03-16 US disclosed
CN-114656452-A Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders 阿尔维纳斯运营股份有限公司 2022-06-24 CN disclosed
EP-3956334-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2022-02-23 EP disclosed
CN-113692407-A Compounds for optically active devices 默克专利股份有限公司 2021-11-23 CN disclosed
WO-2020212543-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-10-22 WO disclosed
EP-1754709-A1 Process for preparing vinylphosphates DSM IP Assets B.V. (NL) 2007-02-21 EP disclosed
EP-1509484-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP Assets B.V. (NL) 2005-03-02 EP disclosed
WO-2003102202-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2003-12-11 WO disclosed
US-6608212-B1 Palladium catalyzed coupling of a vinylphosphate and aryl-metal halide; preparation of such as 1-(4-(2-(pyrrolidin-n-yl)-ethoxy)phenyl)-6-methoxy-3,4-dihydronaphthalene PFIZER, INC. 2003-08-19 US disclosed
US-4048330-A Compositions containing 2-(6'-substituted-2'-naphthyl)acetic acid esters used for treating inflammation, pain or pyrexia SYNTEX CORPORATION (US) 1977-09-13 US disclosed
US-4009197-A 2-(6-Substituted-2'-naphthyl) acetic acid derivatives and the salts and esters thereof SYNTEX CORPORATION (PM) 1977-02-22 US 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-20230084690-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, UACA, PDE6A CYP11B2 3488/4885CYP11B1 3581/4885CYP19A1 2312/4885

“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.