SCHEMBL11077864

SCHEMBL11077864

C#CC(O)(c1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ CYP1A2 P05177 1/20 0.41
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ PABPC1 P11940 1/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL10981113 0.84 TSHR (0.38) CYP2D6CYP2C19CYP3A4ALDH1A1KDM4E
SCHEMBL11085359 0.81 ALDH1A1 (0.42) CYP2D6CYP2C19CYP3A4ALDH1A1KDM4E
SCHEMBL11084522 0.79 TSHR (0.41) CYP2D6CYP2C19CYP3A4ALDH1A1KDM4E
SCHEMBL19765245 0.79 ALDH1A1 (0.36) CYP2D6CYP2C19CYP3A4ALDH1A1KDM4E
SCHEMBL8755148 0.79 CYP2D6 (0.46) CYP2D6CYP2C19CYP3A4ALDH1A1KDM4E
SCHEMBL28604985 0.75 CYP2D6 (0.50) CYP2D6CYP2C19CYP3A4ALDH1A1KDM4E
SCHEMBL15875085 0.73 MEN1 (0.35) CYP2D6CYP2C19CYP3A4ALDH1A1KDM4E
SCHEMBL9808728 0.72 CYP19A1 (0.39) —
SCHEMBL127044 0.71 ALDH1A1 (0.43) CYP2C19CYP3A4ALDH1A1CYP1A2TSHR
SCHEMBL28606840 0.71 ALDH1A1 (0.43) CYP2C19CYP3A4ALDH1A1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107250142-B Group 8 transition metal catalyst, method for producing same and use thereof in metathesis reactions 光明创新(武汉)有限公司 2020-10-30 — — CN disclosed
US-10160828-B2 Group 8 transition metal catalysts and method for making same and process for use of same in metathesis reaction GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2018-12-25 — — US disclosed
US-10159966-B2 Catalyst complexes with carbene ligand and method for making same and use in metathesis reaction GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2018-12-25 — — US disclosed
US-20170145152-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2017-05-25 — — US disclosed
US-20170145152-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2017-05-25 — — US disclosed
US-20170145152-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2017-05-25 — — US disclosed
WO-2016000242-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2016-01-07 — — WO disclosed
US-20150367338-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2015-12-24 — — US disclosed
US-20150367338-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2015-12-24 — — US disclosed
US-20150367338-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2015-12-24 — — US disclosed
EP-2943499-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION Guangming Innovation Company (Wuhan) (CN) 2015-11-18 — — EP disclosed
WO-2014108071-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2014-07-17 — — WO disclosed
WO-2014108071-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2014-07-17 — — WO disclosed
US-4467102-A RACEMIC MODIFICATION WITH BRUCINE UBE INDUSTRIES, LTD. (JP) 1984-08-21 — — US disclosed
EP-0006305-B1 DERIVATIVES OF 4,5-DIHYDRO-4-OXOFURAN-2-CARBOXYLIC ACID, ESPECIALLY FOR USE AS HYPOLIPIDEMIC AGENTS, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM, TETRAHYDROPYRAN-2,3,5-TRIONES USEFUL IN THE PREPARATION OF THE SAID DERIVATIVES AND A PROCESS FOR PREPARING THESE TETRAHYDROPYRAN-2,3,5-TRIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1982-08-11 — — EP disclosed
WO-1980000025-A1 DERIVATIVES OF 4,5-DIHYDRO-4-OXOFURAN-2-CARBOXYLIC ACID,PREPARATIONS AND USE THEREOF AND TETRAHYDROPYRAN-2,3,5-TRIONE INTERMEDIATES AMERICAN HOME PROD (US) 1980-01-10 — — WO disclosed
EP-0006305-A1 Derivatives of 4,5-dihydro-4-oxofuran-2-carboxylic acid, especially for use as hypolipidemic agents, processes for their preparation, pharmaceutical compositions comprising them, tetrahydropyran-2,3,5-triones useful in the preparation of the said derivatives and a process for preparing these tetrahydropyran-2,3,5-triones AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-09 — — EP disclosed
US-4169202-A Process for preparing 4,5-dihydro-4-oxofuran-2-carboxylic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1979-09-25 — — US 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 (4 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-10159966-B2 Catalyst complexes with carbene ligand and method for making same and use in metathesis reaction MSMO1, ALOX12, SQLE CYP2D6 352/4885CYP2C19 782/4885CYP3A4 325/4885
US-20170145152-A1 GROUP 8 TRANSITION METAL CATALYSTS AND METHOD FOR MAKING SAME AND PROCESS FOR USE OF SAME IN METATHESIS REACTION F8, COASY, FADS1 CYP2D6 1267/4885CYP2C19 2412/4885CYP3A4 1454/4885
US-20150367338-A1 CATALYST COMPLEXES WITH CARBENE LIGAND AND METHOD FOR MAKING SAME AND USE IN METATHESIS REACTION MSMO1, ALOX12, SQLE CYP2D6 352/4885CYP2C19 782/4885CYP3A4 325/4885
US-10160828-B2 Group 8 transition metal catalysts and method for making same and process for use of same in metathesis reaction F8, COASY, FADS1 CYP2D6 1267/4885CYP2C19 2412/4885CYP3A4 1454/4885

“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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