Sugi Predict

Sugi Predict / Compounds / SCHEMBL80465

SCHEMBL80465

SCHEMBL80465

OCC=Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.55
▸ PTGS1 P23219 1/20 0.53
▸ NQO2 P16083 1/20 0.52
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ ADAM17 P78536 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ AHR P35869 1/20 0.48
▸ GRIK1 P39086 1/20 0.48
▸ GRIK2 Q13002 1/20 0.48
▸ FBP1 P09467 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL80464 1.00 CYP1A2 (0.55) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL16306924 1.00 CYP1A2 (0.55) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL7804918 0.86 CYP1A2 (0.50) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL7804914 0.86 CYP1A2 (0.50) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL7807098 0.85 CYP1A2 (0.49) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL7807094 0.85 CYP1A2 (0.49) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL11443780 0.85 CYP1A2 (0.55) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL5973863 0.84 CYP1A2 (0.52) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL5973860 0.84 CYP1A2 (0.52) CYP1A2PTGS1NQO2CA1CA2
SCHEMBL9276383 0.82 ALDH1A1 (0.62) CYP1A2PTGS1NQO2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947754-B Use of bidentate phosphite ligands in C-F bond building reactions 郑州大学 2021-02-26 — — CN claimed
CN-108993600-B Use of bidentate phosphite ligands in C-B bond building reactions 郑州大学 2021-01-22 — — CN claimed
CN-108993600-A Application of the bidentate phosphite ester ligand in the building reaction of C-B key 郑州大学 2018-12-14 — — CN claimed
CN-108947754-A Application of the bidentate phosphite ester ligand in the building reaction of C-F key 郑州大学 2018-12-07 — — CN claimed
US-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. 2024-12-05 — — US disclosed
EP-4436976-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION Genentech, Inc. (US) 2024-10-02 — — EP disclosed
CN-118510783-A Spiro modulators of cholesterol biosynthesis and their use for promoting remyelination 基因泰克公司 2024-08-16 — — CN disclosed
EP-3409658-B9 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2024-07-17 — — EP disclosed
US-20240150269-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2024-05-09 — — US disclosed
EP-3409658-B1 TETRAHYDRONAPHTHALENE DERIVATIVE ONO PHARMACEUTICAL CO (JP) 2024-03-06 — — EP disclosed
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds MCMASTER UNIVERSITY (CA) 2023-10-24 — — US disclosed
WO-2023097234-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 — — WO disclosed
US-20010031768-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 — — US disclosed
US-20010031778-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 — — US disclosed
US-6300357-B1 FOR THERAPY OF MYCOTIC DISEASE OF A HUMAN BEING AND AN ANIMAL SANKYO COMPANY, LIMITED (JP) 2001-10-09 — — US disclosed
EP-0841327-B1 TRIAZOLE ANTIFUNGAL AGENT SANKYO CO (JP) 2001-10-04 — — EP disclosed
US-5977152-A Triazole antifungal agent SANKYO COMPANY, LIMITED (JP) 1999-11-02 — — US disclosed
EP-0841327-A1 TRIAZOLE ANTIFUNGAL AGENT SANKYO COMPANY LIMITED (JP) 1998-05-13 — — EP disclosed
CN-1176644-A Lewis X derivative and process for producing the same SUMITOMO PHARMA (JP) 1998-03-18 — — CN disclosed
EP-0801071-A1 LEWIS X DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-15 — — 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 (5 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-20240400579-A1 SPIROCYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION MAG, NR1H2, PMP22 CYP1A2 1830/4885PTGS1 970/4885NQO2 1589/4885
US-20010031768-A1 Triazole antifungal agent ERG28, RIF1, NAT1 CYP1A2 21/4885PTGS1 3685/4885NQO2 534/4885
US-11795127-B2 Processes for the preparation of ortho-allylated hydroxy aryl compounds ADH1A, ADH1C, AHR CYP1A2 45/4885PTGS1 1779/4885NQO2 3043/4885
US-20240150269-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR CYP1A2 46/4885PTGS1 1173/4885NQO2 3664/4885
US-20010031778-A1 Triazole antifungal agent ERG28, NAT1, RIF1 CYP1A2 151/4885PTGS1 2950/4885NQO2 945/4885

“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.