SCHEMBL68329

SCHEMBL68329

CCOC(=O)c1cn(C)cc1C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
BAZ2B Q9UIF8 1/20 0.53
BAZ2A Q9UIF9 1/20 0.53
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 2/20 0.48
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA7 P43166 5/20 0.47
CA9 Q16790 5/20 0.47
CA14 Q9ULX7 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 1/20 0.44

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
Potassium Ion SCHEMBL16740445 0.96 TSHR (0.53) TSHRBAZ2BBAZ2AALDH1A1HSD17B10
SCHEMBL14565677 0.92 TSHR (0.50) TSHRBAZ2BBAZ2AALDH1A1HSD17B10
SCHEMBL4874001 0.92 TSHR (0.50) TSHRBAZ2BBAZ2AALDH1A1HSD17B10
SCHEMBL18092383 0.90 TSHR (0.52) TSHRBAZ2BBAZ2AALDH1A1HSD17B10
SCHEMBL1568194 0.87 ALDH1A1 (0.54) TSHRBAZ2BBAZ2AALDH1A1HSD17B10
SCHEMBL10103741 0.86 TSHR (0.44) TSHRBAZ2BBAZ2AALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL1567430 0.85 ALDH1A1 (0.53) TSHRBAZ2BBAZ2AALDH1A1HSD17B10
SCHEMBL21874122 0.82 BAZ2B (0.47) TSHRBAZ2BBAZ2AALDH1A1HSD17B10
SCHEMBL8871467 0.82 BAZ2B (0.47) TSHRBAZ2BBAZ2AALDH1A1HSD17B10
SCHEMBL11184252 0.81 TSHR (0.43) TSHRBAZ2BBAZ2AALDH1A1HSD17B10

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550796-B2 Pyrrolopyrrolone derivatives and their use as BET inhibitors NOVARTIS AG (CH) 2017-01-24 US disclosed
US-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2016-09-29 US disclosed
EP-3071571-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS Novartis AG (CH) 2016-09-28 EP disclosed
US-9266808-B2 Method for the hydroformylation of olefins BASF SE (DE) 2016-02-23 US disclosed
WO-2015075665-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2015-05-28 WO disclosed
US-8778577-B2 Colored composition, colored cured film, color filter, method for producing color filter, liquid crystal display device, solid-state imaging device, and novel dipyrromethene metal complex compound or tautomer thereof FUJIFILM CORPORATION (JP) 2014-07-15 US disclosed
US-20140038092-A1 COLORED COMPOSITION, COLORED CURED FILM, COLOR FILTER, METHOD FOR PRODUCING COLOR FILTER, LIQUID CRYSTAL DISPLAY DEVICE, SOLID-STATE IMAGING DEVICE, AND NOVEL DIPYRROMETHENE METAL COMPLEX COMPOUND OR TAUTOMER THEREOF FUJIFILM CORPORATION (JP) 2014-02-06 US disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-20080214533-A1 Cyclic Iminocarbamates And Their Use BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
US-20080214533-A1 Cyclic Iminocarbamates And Their Use BAYER HEALTHCARE AG (DE) 2008-09-04 US disclosed
US-20080214533-A1 Cyclic Iminocarbamates And Their Use BAYER HEALTHCARE AG (DE) 2008-09-04 US 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 TSHR 3263/4885BAZ2B 344/4885BAZ2A 674/4885
US-20080214533-A1 Cyclic Iminocarbamates And Their Use F2, UQCRB, F12 TSHR 1635/4885BAZ2B 864/4885BAZ2A 1827/4885
US-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS BET1, PHKB, TMPO TSHR 4015/4885BAZ2B 185/4885BAZ2A 418/4885

“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.