SCHEMBL18614588

SCHEMBL18614588

CC1CCC2C(C1)OC(=O)C2(C)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PTGS2 P35354 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ACHE P22303 3/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RECQL P46063 1/20 0.30

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
SCHEMBL18629599 1.00 ABCB1 (0.43) ABCB1MAPTNPC1MITFHTT
SCHEMBL24026905 1.00 ABCB1 (0.43) ABCB1MAPTNPC1MITFHTT
SCHEMBL25782621 1.00 ABCB1 (0.43) ABCB1MAPTNPC1MITFHTT
SCHEMBL18629597 1.00 ABCB1 (0.43) ABCB1MAPTNPC1MITFHTT
SCHEMBL25784631 0.82 ABCB1 (0.41) ABCB1MAPTKMT2AGAAHPGD
SCHEMBL8630325 0.82 ABCB1 (0.41) ABCB1MAPTKMT2AGAAHPGD
SCHEMBL8630324 0.82 ABCB1 (0.41) ABCB1MAPTKMT2AGAAHPGD
SCHEMBL23008043 0.82 ABCB1 (0.41) ABCB1MAPTKMT2AGAAHPGD
SCHEMBL18629603 0.79 ABCB1 (0.40) ABCB1GAAHPGDTSHRHSD17B10
SCHEMBL18629601 0.75 ABCB1 (0.35) ABCB1KMT2APTGS2MAPK1NPSR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347348-B1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF P2 SCIENCE INC (US) 2021-11-17 — — EP claimed
US-20190322635-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF P2 SCIENCE, INC. (US) 2019-10-24 — — US claimed
US-10399954-B2 Preparation of 3-hydroxy-3,6-dimethylhexahydrobenzofuran-2-one and derivatives thereof P2 SCIENCE, INC. (US) 2019-09-03 — — US claimed
US-20190002424-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF P2 SCIENCE, INC. (US) 2019-01-03 — — US claimed
EP-3347348-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF P2 Science, Inc. (US) 2018-07-18 — — EP claimed
WO-2017044957-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF P2 SCIENCE, INC. (US) 2017-03-16 — — WO claimed
JP-2023145671-A PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF ピー2・サイエンス・インコーポレイテッド 2023-10-11 — — JP disclosed
US-11434216-B2 Preparation of 3-hydroxy-3,6-dimethylhexahydrobenzofuran-2-one and derivatives thereof P2 SCIENCE, INC. (US) 2022-09-06 — — US disclosed
US-11434216-B2 Preparation of 3-hydroxy-3,6-dimethylhexahydrobenzofuran-2-one and derivatives thereof P2 SCIENCE, INC. (US) 2022-09-06 — — US disclosed
JP-2022036968-A PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVE THEREOF ピー2・サイエンス・インコーポレイテッド 2022-03-08 — — JP disclosed
JP-2022036968-A PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVE THEREOF ピー2・サイエンス・インコーポレイテッド 2022-03-08 — — JP disclosed
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-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-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
EP-3347348-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF P2 Science, Inc. (US) 2018-07-18 — — EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-10399954-B2 Preparation of 3-hydroxy-3,6-dimethylhexahydrobenzofuran-2-one and derivatives thereof CYP8B1, DIMT1, DHCR7 ABCB1 2170/4885MAPT 1654/4885NPC1 2573/4885
US-20190002424-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF CYP8B1, DIMT1, DHCR7 ABCB1 2170/4885MAPT 1654/4885NPC1 2573/4885
US-11008299-B2 Preparation of 3-hydroxy-3,6- dimethylhexahydrobenzofuran-2-one and derivatives thereof CYP8B1, DIMT1, DHCR7 ABCB1 2170/4885MAPT 1654/4885NPC1 2573/4885
US-20190322635-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF CYP8B1, DIMT1, DHCR7 ABCB1 2170/4885MAPT 1654/4885NPC1 2573/4885
US-20210230132-A1 PREPARATION OF 3-HYDROXY-3,6-DIMETHYLHEXAHYDROBENZOFURAN-2-ONE AND DERIVATIVES THEREOF CYP8B1, DIMT1, DHCR7 ABCB1 2170/4885MAPT 1654/4885NPC1 2573/4885
US-11434216-B2 Preparation of 3-hydroxy-3,6-dimethylhexahydrobenzofuran-2-one and derivatives thereof CYP8B1, DIMT1, DHCR7 ABCB1 2170/4885MAPT 1654/4885NPC1 2573/4885

“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.

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