SCHEMBL4791985

SCHEMBL4791985

C=CC=C1C2CC3CC(C2)CC1C3

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43

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
SCHEMBL6557963 0.69 TSHR (0.48) TSHR
SCHEMBL7627471 0.67 TSHR (0.46) TSHR
SCHEMBL3847162 0.62
SCHEMBL11791026 0.62 CHRNB2 (0.47) TSHR
SCHEMBL150988 0.62 TSHR (0.32) TSHR
SCHEMBL5376527 0.62 TSHR (0.41) TSHR
SCHEMBL1072862 0.62 TSHR (0.41) TSHR
SCHEMBL9638829 0.62 TSHR (0.46) TSHR
SCHEMBL9638454 0.62 TSHR (0.41) TSHR
SCHEMBL2488748 0.62 TSHR (0.41) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696595-B2 ESTERIFYING AN ADAMANTANE COMPOUND HAVING AN -OH GROUP, -OM GROUP OR OR DIVALENT ALIPHATIC HYDROCARBON GROUP, AND DISTILLING THE ESTER PRODUCT IN PRESENCE OF AN INERT HETEROCYCLIC COMPOUND WHICH IS STABLE UNDER DISTILLATION TOKUYAMA CORPORATION (JP) 2004-02-24 US claimed
US-20030120107-A1 Process of the preparation of high-purity alkyladamantyl esters TOKUYAMA CORPORATION (JP) 2003-06-26 US claimed
EP-1284256-A1 PROCESS OF THE PREPARATION OF HIGH-PURITY ALKYLADAMANTYL ESTERS TOKUYAMA CORPORATION (JP) 2003-02-19 EP claimed
JP-2008303218-A METHOD FOR PRODUCING (METH)ACRYLATE MITSUBISHI CHEMICALS CORP 2008-12-18 JP disclosed
US-20080051597-A1 Process for Producing 2-Methyladamantan-2-Yl (Meth)Acrylate and 2-Methyladamantan-2-Yl (Meth)Acrylate MITSUBISHI CHEMICAL CORPORATION (JP) 2008-02-28 US disclosed
US-6861552-B2 Adamantyl ester monomer composition TOKUYAMA CORPORATION (JP) 2005-03-01 US disclosed
US-6696595-B2 ESTERIFYING AN ADAMANTANE COMPOUND HAVING AN -OH GROUP, -OM GROUP OR OR DIVALENT ALIPHATIC HYDROCARBON GROUP, AND DISTILLING THE ESTER PRODUCT IN PRESENCE OF AN INERT HETEROCYCLIC COMPOUND WHICH IS STABLE UNDER DISTILLATION TOKUYAMA CORPORATION (JP) 2004-02-24 US disclosed
US-20040015008-A1 Adamantyl ester monomer composition TOKUYAMA CORPORATION (JP) 2004-01-22 US disclosed
US-20030120107-A1 Process of the preparation of high-purity alkyladamantyl esters TOKUYAMA CORPORATION (JP) 2003-06-26 US disclosed
EP-1306363-A1 ADAMANTYL ESTER MONOMER COMPOSITION TOKUYAMA CORPORATION (JP) 2003-05-02 EP disclosed
EP-1284256-A1 PROCESS OF THE PREPARATION OF HIGH-PURITY ALKYLADAMANTYL ESTERS TOKUYAMA CORPORATION (JP) 2003-02-19 EP disclosed
JP-2002284739-A METHOD FOR PRODUCING (METH)ACRYLIC ACID ESTER MITSUBISHI CHEMICALS CORP 2002-10-03 JP disclosed
JP-2002047216-A METHOD FOR PRODUCING 2-ALKYLIDENEADAMANTANE MITSUBISHI CHEMICALS CORP 2002-02-12 JP 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 (2 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-20040015008-A1 Adamantyl ester monomer composition PRMT1, HSD11B1, HSD3B1 TSHR 4693/4885
US-20030120107-A1 Process of the preparation of high-purity alkyladamantyl esters TET2, MSMO1, ACMSD TSHR 4023/4885

“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.