SCHEMBL119901

SCHEMBL119901

CN1CC(C(=O)O)CC1=O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.63
MAPT P10636 2/20 0.60
POLB P06746 3/20 0.58
RECQL P46063 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 1/20 0.47
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL2811918 1.00 BRD4 (0.63) BRD4MAPTPOLBRECQLGAA
SCHEMBL30307671 1.00 BRD4 (0.63) BRD4MAPTPOLBRECQLGAA
SCHEMBL15684270 1.00 BRD4 (0.63) BRD4MAPTPOLBRECQLGAA
SCHEMBL3826960 0.89 BRD4 (0.53) BRD4MAPTPOLBRECQLGAA
Glycerin SCHEMBL3843494 0.86 MAPT (0.51) BRD4MAPTPOLBRECQLGAA
Triethylene Glycol SCHEMBL1362131 0.83 BRD4 (0.51) BRD4MAPTPOLBRECQLGAA
SCHEMBL14372529 0.83 BRD4 (0.63) BRD4MAPTPOLBRECQLSMN1; SMN2
SCHEMBL13803892 0.83 BRD4 (0.63) BRD4MAPTPOLBRECQLSMN1; SMN2
Itaconate SCHEMBL2524622 0.82 BRD4 (0.50) BRD4MAPTPOLBRECQLGAA
SCHEMBL29138381 0.82 BRD4 (0.46) BRD4MAPTPOLBRECQLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020118091-A1 ONDANSETRON IN-ADHESIVE TRANSDERMAL PATCH STARTON THERAPEUTICS, INC. (US) 2020-06-11 WO claimed
EP-3193849-A1 OPIPRAMOL PATCH Neuroderm, Ltd. (IL) 2017-07-26 EP claimed
WO-2016042413-A1 OPIPRAMOL PATCH NEURODERM, LTD. (IL) 2016-03-24 WO claimed
US-20120202891-A1 Cannabinoid-Containing Compositions and Methods for Their Use UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-08-09 US claimed
EP-2473505-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP claimed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US claimed
EP-2424568-A1 CANNABINOID-CONTAINING COMPOSITIONS AND METHODS FOR THEIR USE University Of Kentucky Research Foundation (US) 2012-03-07 EP claimed
US-7879344-B2 contains antiitch agent; for use in wipes and absorbent articles, and transdermal patches KIMBERLY-CLARK WORLDWIDE, INC. (US) 2011-02-01 US claimed
WO-2010126501-A1 CANNABINOID-CONTAINING COMPOSITIONS AND METHODS FOR THEIR USE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-11-04 WO claimed
EP-2040693-A2 TRANSDERMAL DELIVERY OF OLEOCANTHAL FOR RELIEF OF INFLAMMATION Kimberly-Clark Worldwide, Inc. (US) 2009-04-01 EP claimed
US-7137975-B2 Method for increasing the battery life of an alternating current iontophoresis device using a barrier-modifying agent ACIONT, INC. (US) 2006-11-21 US claimed
US-20020161323-A1 Method for increasing the battery life of an alternating current iontophoresis device using a barrier-modifying agent ACIONT INC. 2002-10-31 US claimed
EP-0813879-B1 Drug administration composition for iontophoresis HISAMITSU PHARMACEUTICAL CO (JP) 2002-10-30 EP claimed
EP-0475963-A4 POLYMERIZABLE PYRROLIDONYL OXAZOLINE MONOMERS, HOMOPOLYMERS AND COPOLYMERS 1992-06-24 EP claimed
EP-0471683-A4 BIS-(PYRROLIDONYL ALKYLENE) BIGUANIDES 1992-04-22 EP claimed
EP-0475963-A1 POLYMERIZABLE PYRROLIDONYL OXAZOLINE MONOMERS, HOMOPOLYMERS AND COPOLYMERS ISP INVESTMENTS INC. (US) 1992-03-25 EP claimed
EP-0471683-A1 BIS-(PYRROLIDONYL ALKYLENE) BIGUANIDES GAF CHEMICALS CORPORATION (US) 1992-02-26 EP claimed
WO-1990013544-A1 POLYMERIZABLE PYRROLIDONYL OXAZOLINE MONOMERS, HOMOPOLYMERS AND COPOLYMERS GAF CHEMICALS CORPORATION (US) 1990-11-15 WO claimed
WO-1990013536-A1 BIS-(PYRROLIDONYL ALKYLENE) BIGUANIDES GAF CHEMICALS CORPORATION (US) 1990-11-15 WO claimed
US-4952704-A WATER SOLUBLE MICROBIOCIDES; NONTOXIC, COMPATIBLE WITH SURFACTANTS GAF CHEMICALS CORPORATION (US) 1990-08-28 US 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-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI BRD4 121/4885MAPT 2590/4885POLB 244/4885
US-20120202891-A1 Cannabinoid-Containing Compositions and Methods for Their Use CNR2, CNR1, FAAH BRD4 804/4885MAPT 1463/4885POLB 2397/4885

“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.