SCHEMBL1308773

SCHEMBL1308773

O=C/C=C/c1ccc(C=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.65
KDM4E B2RXH2 2/20 0.65
MAPT P10636 1/20 0.65
TRPA1 O75762 1/20 0.64
LMNA P02545 1/20 0.64
ALOX5 P09917 1/20 0.64
MAPK1 P28482 1/20 0.64
XDH P47989 2/20 0.52
CYP2A6 P11509 4/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
TYR P14679 1/20 0.42
CYP2A13 Q16696 1/20 0.42

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
SCHEMBL1308775 1.00 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL1310214 0.91 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL1310216 0.91 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTTRPA1LMNA
Cinnamaldehyde SCHEMBL10628048 0.87 ALDH1A1 (0.86) ALDH1A1KDM4EMAPTTRPA1LMNA
Cinnamaldehyde SCHEMBL10631921 0.87 ALDH1A1 (0.86) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL5552912 0.86 APP (0.55) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL18921374 0.83 FBP1 (0.49) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL18921375 0.83 FBP1 (0.49) ALDH1A1KDM4EMAPTTRPA1LMNA
SCHEMBL4195177 0.82 CYP2A6 (0.58) ALDH1A1KDM4ECYP2A6HSD17B10ALDH5A1
SCHEMBL9004502 0.82 CYP2A6 (0.58) ALDH1A1KDM4ECYP2A6HSD17B10ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4410696-A Antitumor and immunosuppressive 4-carbamoylimidazolium-5-olate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-18 US claimed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 EP claimed
WO-2017170681-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 2017-10-05 WO disclosed
US-8053577-B2 Derivatives of 5,9-methanocycloocta[b]pyridin-2-(1H)-one, their preparation and use as analgesics ZHANG HESHENG 2011-11-08 US disclosed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP disclosed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO disclosed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO disclosed
US-4410696-A Antitumor and immunosuppressive 4-carbamoylimidazolium-5-olate derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-18 US disclosed
EP-0075629-A1 Imidazole derivatives, their preparation, and their pharmaceutical compositions Sumitomo Chemical Industries Ltd. (JP) 1983-04-06 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 (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 ALDH1A1 3218/4885KDM4E 3643/4885MAPT 121/4885
US-20020103134-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids IAPP, APP, VIP ALDH1A1 3416/4885KDM4E 3221/4885MAPT 297/4885
US-20060014696-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 ALDH1A1 3218/4885KDM4E 3643/4885MAPT 121/4885

“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.