SCHEMBL2887729

SCHEMBL2887729

CC(=O)c1c[c]cc(C(C)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.46
LMNA P02545 2/20 0.38
MAPT P10636 4/20 0.37
HPGD P15428 3/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
HSD17B1 P14061 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2A6 P11509 1/20 0.35
PKM P14618 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PRKCI P41743 1/20 0.33
MAPK1 P28482 1/20 0.33
CA2 P00918 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 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
SCHEMBL3950723 0.85 CA5A (0.56) CA5ALMNAMAPTHPGDRAB9A
SCHEMBL27617295 0.84 CA5A (0.38) CA5ALMNAMAPTHPGDRAB9A
SCHEMBL17256645 0.84 CES2 (0.39) CA5ALMNAMAPTRAB9ANPC1
SCHEMBL3335983 0.82 KMT2A (0.48) CA5ALMNAMAPTHPGDRAB9A
SCHEMBL2879040 0.80 MAPT (0.38) CA5AMAPTRAB9AKMT2ANPC1
SCHEMBL8319196 0.80 LMNA (0.42) LMNAMAPTHPGDRAB9AL3MBTL1
SCHEMBL20526141 0.79 CES2 (0.45) CA5AKMT2A
SCHEMBL669554 0.78 CA5A (0.67) CA5ALMNAMAPTHPGDRAB9A
SCHEMBL398487 0.74 TSHR (0.45) CA5ALMNAMAPTHPGDL3MBTL1
Acetonitrile SCHEMBL17477300 0.72 CA5A (0.52) CA5ALMNAMAPTHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP claimed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 WO claimed
EP-2239057-B1 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU (JP) 2015-06-03 EP disclosed
CN-103415286-A Compounds and methods for treating pain AKRON MOLECULES GMBH 2013-11-27 CN disclosed
US-8232420-B2 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-31 US disclosed
US-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-10-14 US disclosed
EP-2239057-A1 Asymmetric catalyst and process for preparing optically active alcohols using the same Kanto Kagaku Kabushiki Kaisha (JP) 2010-10-13 EP disclosed
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus ALTANA PHARMA AG (DE) 2006-12-14 US disclosed
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
CN-1029405-C Lipid A analogs having immunoactivating and anti-tumor activity SANKYO CO (JP) 1995-08-02 CN disclosed
WO-1995019767-A1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1995-07-27 WO disclosed
CN-1091432-A Can suppress the active peptide of hiv protease, its preparation with and medical use SANKYO CO (JP) 1994-08-31 CN disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP disclosed
CN-1052481-A Lipoid category-A with immunocompetence and anti-tumor activity is like thing SANKYO CO (JP) 1991-06-26 CN 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B CA5A 1939/4885LMNA 3744/4885MAPT 2855/4885
US-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME ADH1A, ADH1C, ADH5 CA5A 2012/4885LMNA 2545/4885MAPT 4229/4885
US-20060281745-A1 Use of pde4 inhibitors for the treatment of diabetes mellitus PDE4A, PDE4B, PDE12 CA5A 280/4885LMNA 4251/4885MAPT 3557/4885

“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.