SCHEMBL8628231

SCHEMBL8628231

C[C@@H]1CC[C@@H]2[C@H](C)C(=O)O[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R46 P59540 8/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 4/20 0.32
TAS2R31 P59538 2/20 0.32
TAS2R10 Q9NYW0 2/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ICAM1 P05362 1/20 0.32
ATM Q13315 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
SCHEMBL9240553 1.00 TAS2R46 (0.47) TAS2R46MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL8635163 1.00 TAS2R46 (0.47) TAS2R46MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL754420 1.00 TAS2R46 (0.47) TAS2R46MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL4097512 1.00 TAS2R46 (0.47) TAS2R46MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL9244208 1.00 TAS2R46 (0.47) TAS2R46MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL24026904 1.00 TAS2R46 (0.47) TAS2R46MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL13478756 1.00 TAS2R46 (0.47) TAS2R46MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL18629658 1.00 TAS2R46 (0.47) TAS2R46MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL21316644 1.00 TAS2R46 (0.47) TAS2R46MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL8632758 1.00 TAS2R46 (0.47) TAS2R46MEN1KMT2ACYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0621892-A1 USE OF FURANONES AS SCENTING INGREDIENTS FIRMENICH SA (CH) 1994-11-02 EP claimed
WO-1994012143-A2 USE OF FURANONES AS SCENTING INGREDIENTS FIRMENICH SA (CH) 1994-06-09 WO claimed
EP-3347348-B1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF P2 SCIENCE INC (US) 2021-11-17 EP disclosed
US-20210230132-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF P2 SCIENCE, INC. (US) 2021-07-29 US disclosed
US-11008299-B2 Preparation of 3-hydroxy-3,6- dimethylhexahydrobenzofuran-2-one and derivatives thereof P2 SCIENCE, INC. (US) 2021-05-18 US disclosed
US-10995080-B2 Stereoselective synthesis of perhydro-3,6-dialkyl-2-benzo[b]furanones and analogs INTERNATIONAL FLAVOR & FRAGRANCES INC. (US) 2021-05-04 US disclosed
US-20200377466-A1 STEREOSELECTIVE SYNTHESIS OF PERHYDRO-3,6-DIALKYL-2-BENZO[B]FURANONES AND ANALOGS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2020-12-03 US disclosed
EP-3744717-A1 STEREOSELECTIVE PREPARATION OF PERHYDRO-3,6-DIMETHYL-2-BENZO[B]FURANONES International Flavors & Fragrances Inc. (US) 2020-12-02 EP disclosed
US-20190322635-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF P2 SCIENCE, INC. (US) 2019-10-24 US disclosed
US-10399954-B2 Preparation of 3-hydroxy-3,6-dimethylhexahydrobenzofuran-2-one and derivatives thereof P2 SCIENCE, INC. (US) 2019-09-03 US disclosed
US-20190002424-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF P2 SCIENCE, INC. (US) 2019-01-03 US disclosed
WO-2017044957-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF P2 SCIENCE, INC. (US) 2017-03-16 WO disclosed
EP-0621892-B1 USE OF FURANONES AS SCENTING INGREDIENTS FIRMENICH & CIE (CH) 1998-07-08 EP disclosed
US-5464824-A Odors and perfumed articles FIRMENICH SA (CH) 1995-11-07 US disclosed
EP-0621892-A1 USE OF FURANONES AS SCENTING INGREDIENTS FIRMENICH SA (CH) 1994-11-02 EP disclosed
WO-1994012143-A2 USE OF FURANONES AS SCENTING INGREDIENTS FIRMENICH SA (CH) 1994-06-09 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 (7 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-10995080-B2 Stereoselective synthesis of perhydro-3,6-dialkyl-2-benzo[b]furanones and analogs DLD, DHCR7, DHPS TAS2R46 2430/4885MEN1 1593/4885KMT2A 2155/4885
US-20200377466-A1 STEREOSELECTIVE SYNTHESIS OF PERHYDRO-3,6-DIALKYL-2-BENZO[B]FURANONES AND ANALOGS DLD, DHCR7, DHPS TAS2R46 2430/4885MEN1 1593/4885KMT2A 2155/4885
US-10399954-B2 Preparation of 3-hydroxy-3,6-dimethylhexahydrobenzofuran-2-one and derivatives thereof CYP8B1, DIMT1, DHCR7 TAS2R46 4550/4885MEN1 91/4885KMT2A 312/4885
US-20190002424-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF CYP8B1, DIMT1, DHCR7 TAS2R46 4550/4885MEN1 91/4885KMT2A 312/4885
US-11008299-B2 Preparation of 3-hydroxy-3,6- dimethylhexahydrobenzofuran-2-one and derivatives thereof CYP8B1, DIMT1, DHCR7 TAS2R46 4550/4885MEN1 91/4885KMT2A 312/4885
US-20190322635-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF CYP8B1, DIMT1, DHCR7 TAS2R46 4550/4885MEN1 91/4885KMT2A 312/4885
US-20210230132-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF CYP8B1, DIMT1, DHCR7 TAS2R46 4550/4885MEN1 91/4885KMT2A 312/4885

“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.