SCHEMBL369156

SCHEMBL369156

O=[C]c1ccc(C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ALDH5A1 P51649 1/20 0.48
▸ ABAT P80404 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ EGFR P00533 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ TYR P14679 1/20 0.42
▸ CYP2A13 Q16696 1/20 0.42
▸ ALDH1A3 P47895 2/20 0.39
▸ ALDH3A1 P30838 1/20 0.39
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ PTGS2 P35354 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL9408109 0.80 FFAR1 (0.39) HSD17B10ALDH1A1KDM4E
SCHEMBL9408115 0.80 FFAR1 (0.39) HSD17B10ALDH1A1KDM4E
SCHEMBL8384841 0.80 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL30635304 0.80 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL30635286 0.80 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL104811 0.78 APP (0.32) —
SCHEMBL4956384 0.78 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL31171 0.78 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL25245965 0.76 CYP2A6 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL14662561 0.76 CYP2A6 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9327269-B2 Stationary phase DAICEL CORPORATION (JP) 2016-05-03 — — US claimed
US-20150182943-A1 STATIONARY PHASE DAICEL CORPORATION (JP) 2015-07-02 — — US claimed
EP-2876439-A1 STATIONARY PHASE Daicel Corporation (JP) 2015-05-27 — — EP claimed
US-20090300800-A1 D-Amino Acid a Selectable Marker for Barley (Hordeum Vulgare L.) Transformation BASF PLANT SCIENCE GMBH (DE) 2009-12-03 — — US claimed
US-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PARAECIS PHARMACEUTICALS, INC. (US) 2007-10-25 — — US claimed
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARMACEUTICALS, INC. (US) 2006-01-19 — — US claimed
EP-0929574-B1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARM INC (US) 2005-06-29 — — EP claimed
US-20020103134-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARMACEUTICALS INC. 2002-08-01 — — US claimed
US-5985242-A PEPTIDE OF 3 TO 5 D-AMINO ACIDS; MAY BE MODIFIED AT AMINO-AND/OR CARBOXY TERMINUS; FOR TREATMENT OF AMYLOIDOSIS, ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC. (US) 1999-11-16 — — US claimed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 — — EP claimed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS — 1998-05-28 — — WO claimed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 — — WO claimed
EP-0006123-B1 A PTERIDINE DERIVATIVE AND A PROCESS FOR THE PREPARATION OF 10-DEAZAAMINOPTERIN AND ITS DERIVATIVES FROM THE PTERIDINE DERIVATIVE Southern Research Institute (US) 1985-01-16 — — EP claimed
CN-117752790-A In-situ injectable hydrogel anti-tumor drug delivery system based on novel photodynamic material, and preparation method and application thereof 中国药科大学 2024-03-26 — — CN disclosed
EP-4247805-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmceuticals (CN) 2023-09-27 — — EP disclosed
CN-115044383-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal element JSR株式会社 2022-09-13 — — CN disclosed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS — 1998-05-28 — — WO disclosed
EP-0842169-A1 BENZOTHIOPHENE COMPOUNDS ELI LILLY AND COMPANY (US) 1998-05-20 — — EP disclosed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 — — WO disclosed
WO-1997001549-A1 BENZOTHIOPHENE COMPOUNDS ELI LILLY AND COMPANY (US) 1997-01-16 — — 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 (3 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-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 CYP2A6 3217/4885HSD17B10 3094/4885ALDH5A1 4142/4885
US-20020103134-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids IAPP, APP, VIP CYP2A6 2880/4885HSD17B10 3036/4885ALDH5A1 3800/4885
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 CYP2A6 3217/4885HSD17B10 3094/4885ALDH5A1 4142/4885

“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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