SCHEMBL7603419

SCHEMBL7603419

COC(=O)CC(C)(C)C1CO1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
HSD17B10 Q99714 2/20 0.38
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
EPHX2 P34913 1/20 0.33
TET2 Q6N021 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL10884437 0.81 GAA (0.40) TSHRHSD17B10MGAMGAASI
SCHEMBL10937510 0.81 TSHR (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL4996608 0.80 TSHR (0.36) TSHRHSD17B10MGAMGAASI
SCHEMBL14866067 0.77 EPHX2 (0.34) TSHRHSD17B10MGAMGAASI
SCHEMBL7601706 0.77 HMGCR (0.42) TSHR
SCHEMBL7112401 0.75 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL13239242 0.71
SCHEMBL14473468 0.69 ALDH1A1 (0.36) MGAMGAASIMGAM2
SCHEMBL2854781 0.69
SCHEMBL12894891 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117209463-A Synthetic method of caronic anhydride 浙江沙星科技股份有限公司 2023-12-12 CN claimed
CN-117209463-A Synthetic method of caronic anhydride 浙江沙星科技股份有限公司 2023-12-12 CN disclosed
CN-117209463-A Synthetic method of caronic anhydride 浙江沙星科技股份有限公司 2023-12-12 CN disclosed
US-20020161244-A1 Preparation of cis-6,6-dimethyl-3-oxa-bicyclo(3.1.0)hexan-2-one LEVIN DANIEL (GB) 2002-10-31 US disclosed
US-6414165-B1 REACTING LOWER ALKYL ESTER OF 4,5-EPOXY-3,3-DIMETHYLPENTANOIC ACID OR SULFONIC ESTER OF BETA,BETA-DIMETHYL-GAMMA-(HYDROXYMETHYL)-GAMMA-BUTYROLACTONE WITH ALKALI METAL OR QUATERNARY AMMONIUM ALKOXIDE IN ETHER SYNGENTA LIMITED (GB) 2002-07-02 US disclosed
EP-1080085-A1 PREPARATION OF CIS-6,6-DIMETHYL-3-OXA-BICYCLO 3.1.0]HEXAN-2-ONE ZENECA LIMITED (GB) 2001-03-07 EP disclosed
WO-1999054324-A1 PREPARATION OF CIS-6,6-DIMETHYL-3-OXA-BICYCLO[3.1.0]HEXAN-2-ONE ZENECA LIMITED (GB) 1999-10-28 WO disclosed
EP-0031932-B1 SUBSTITUTED LACTONES, PENTANOIC ACID DERIVATIVES AND PROCESS FOR THEIR PREPARATION HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1987-07-01 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-20020161244-A1 Preparation of cis-6,6-dimethyl-3-oxa-bicyclo(3.1.0)hexan-2-one MSMO1, CYP2B6, CYP2D6 TSHR 4813/4885HSD17B10 208/4885MGAM 750/4885

“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.