SCHEMBL353027

SCHEMBL353027

Cc1nc2ccc(C)c(C)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PARP1 P09874 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
PDE2A O00408 1/20 0.38
P2RY12 Q9H244 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPK1 P28482 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TYMS P04818 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
DAO P14920 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.34

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
SCHEMBL13383928 0.84 ALDH1A1 (0.48) ALDH1A1PARP1ADORA3MAPTKDM4E
SCHEMBL6366687 0.80 PARP1 (0.42) ALDH1A1PARP1ADORA3TNKS2TYMS
SCHEMBL12020719 0.79 ALDH1A1 (0.47) ALDH1A1PARP1ADORA3MAPTKDM4E
SCHEMBL3711999 0.79 DAO (0.37) ALDH1A1PDE3BPDE3APDE2AP2RY12
SCHEMBL9144166 0.79 PDE3B (0.36) ALDH1A1PDE3BPDE3APDE2AP2RY12
SCHEMBL2541923 0.79 FABP6 (0.46) ALDH1A1PDE3BPDE3APDE2AP2RY12
SCHEMBL6142611 0.79 ALDH1A1 (0.40) ALDH1A1PARP1ADORA3MAPTKDM4E
SCHEMBL22349154 0.79 KDM4E (0.43) ALDH1A1PDE3BPDE3APDE2AP2RY12
SCHEMBL22011133 0.79 CSNK2A1 (0.39) ALDH1A1PARP1ADORA3MAPTKDM4E
SCHEMBL13351382 0.79 ALDH1A1 (0.47) ALDH1A1PARP1ADORA3PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200054664-A1 METABOLIC SUPPLEMENT FORMULATION AND METHODS OF USE FOR TREATING DEPRESSION AND ANXIETY HAWKINS GERMAINE BERNARD (US) 2020-02-20 US claimed
EP-2445518-A1 COBALAMIN TAXANE BIOCONJUGATES FOR TREATING EYE DISEASE Osiris Therapeutics, Inc. (US) 2012-05-02 EP claimed
US-20110166097-A1 TAXANE COMPOUNDS FOR TREATING EYE DISEASE OSIRIS THERAPEUTICS, INC. (US) 2011-07-07 US claimed
EP-2320728-A1 TAXANE COMPOUNDS FOR TREATING EYE DISEASE Osiris Therapeutics, Inc. (US) 2011-05-18 EP claimed
WO-2010088287-A1 COBALAMIN TAXANE BIOCONJUGATES FOR TREATING EYE DISEASE GEBHARD JOHN R (US) 2010-08-05 WO claimed
JP-2010509488-A 2010-03-25 JP claimed
WO-2010011662-A1 TAXANE COMPOUNDS FOR TREATING EYE DISEASE INFLABLOC PHARMACEUTICALS, INC. (US) 2010-01-28 WO claimed
US-20100016256-A1 Taxane Compounds for Treating Eye Disease OSIRIS THERAPEUTICS, INC 2010-01-21 US claimed
EP-2139469-A2 COBALAMIN TAXANE BIOCONJUGATES Inflabloc Pharmaceuticals, Inc. (US) 2010-01-06 EP claimed
EP-1978997-A1 TRANSDERMAL DELIVERY OF PHARMACEUTICAL AGENTS Apollo Life Sciences Limited (AU) 2008-10-15 EP claimed
CN-1126436-A Vitamin B12 mediated oral delivery systems for GCSF and EPO BIOTECH AUSTRALIA PTY LTD (AU) 1996-07-10 CN claimed
CN-1126441-A Amplification of vitamin B12 absorption System Using polymers BIOTECH AUSTRALIA PTY LTD (AU) 1996-07-10 CN claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0701448-A1 AMPLIFICATION OF THE VITAMIN B 12? UPTAKE SYSTEM USING POLYMERS BIOTECH AUSTRALIA PTY. LIMITED (AU) 1996-03-20 EP claimed
EP-0700295-A1 VITAMIN B 12? MEDIATED ORAL DELIVERY SYSTEMS FOR GCSF AND EPO BIOTECH AUSTRALIA PTY. LIMITED (AU) 1996-03-13 EP claimed
EP-0673783-A2 Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds XEROX CORPORATION (US) 1995-09-27 EP claimed
US-5449720-A Amplification of the VB12 uptake system using polymers BIOTECH AUSTRALIA PTY LIMITED (AU) 1995-09-12 US claimed
WO-1994027613-A1 VITAMIN B12 MEDIATED ORAL DELIVERY SYSTEMS FOR GCSF AND EPO BIOTECH AUSTRALIA PTY. LIMITED (AU) 1994-12-08 WO claimed
WO-1994027641-A1 AMPLIFICATION OF THE VITAMIN B12 UPTAKE SYSTEM USING POLYMERS BIOTECH AUSTRALIA PTY. LIMITED (AU) 1994-12-08 WO claimed
EP-0428260-A2 Metal surface treatment agents SANWA LABORATORY LTD. (JP) 1991-05-22 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100016256-A1 Taxane Compounds for Treating Eye Disease TTR, BTD, MTHFD1 ALDH1A1 283/4885PARP1 438/4885ADORA3 1214/4885
US-20110166097-A1 TAXANE COMPOUNDS FOR TREATING EYE DISEASE TTR, BTD, MTHFD1 ALDH1A1 283/4885PARP1 438/4885ADORA3 1214/4885

“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.