SCHEMBL7601706

SCHEMBL7601706

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.42
CHRM1 P11229 1/20 0.42
TBXA2R P21731 1/20 0.42
ADRA1A P35348 1/20 0.42
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.37
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28115601 0.78 NAALAD2 (0.38) HMGCRCHRM1TBXA2RADRA1AHIF1A
SCHEMBL3516359 0.71 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL27656530 0.70
SCHEMBL15995099 0.67
SCHEMBL14876761 0.67
SCHEMBL17655761 0.67 ALDH1A1 (0.30) ALDH1A1
Citric Acid SCHEMBL28188885 0.65 ALDH1A1 (0.62) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL5309982 0.65 HMGCR (0.39) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL19520696 0.65
SCHEMBL8385130 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 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
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
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
CN-1297446-A Process for the preparation of cis-6, 6-dimethyl-3-oxo-bicyclo (3.1.0) hexan-2-one ZENECA LTD (GB) 2001-05-30 CN 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
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
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

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 HMGCR 554/4885CHRM1 410/4885TBXA2R 3096/4885

“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.