SCHEMBL2176462

SCHEMBL2176462

COCCCOc1cc(CO)cc(C(=O)OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 1/20 0.41
CYP4A11 Q02928 4/20 0.40
CYP4F2 P78329 3/20 0.40
PRKCA P17252 2/20 0.39
PRKCD Q05655 2/20 0.39
SLC7A5 Q01650 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
PLA2G2A P14555 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL10068777 0.93 MAPT (0.50) MAPTALDH1A1KDM4EGAARAB9A
SCHEMBL89159 0.90 KDM4E (0.48) MAPTALDH1A1KDM4EGAARAB9A
SCHEMBL10068766 0.88 MAPT (0.49) MAPTALDH1A1KDM4ERAB9APRKCA
SCHEMBL89250 0.88 MAPT (0.53) MAPTALDH1A1KDM4EGAARAB9A
SCHEMBL3490269 0.88 MAPT (0.53) MAPTALDH1A1KDM4EGAARAB9A
SCHEMBL2175836 0.87 MAPT (0.44) MAPTALDH1A1KDM4EGAARAB9A
SCHEMBL2175665 0.87 PLA2G2A (0.53) ALDH1A1KDM4EGAARAB9APLA2G2A
SCHEMBL89596 0.83 RAB9A (0.50) MAPTALDH1A1KDM4EGAARAB9A
SCHEMBL10068719 0.83 PRKCA (0.47) MAPTALDH1A1KDM4EGAARAB9A
SCHEMBL13461247 0.82 PLA2G2A (0.54) MAPTALDH1A1KDM4ERAB9APLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
WO-2012019428-A1 BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO 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 (4 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 MAPT 3236/4885ALDH1A1 998/4885KDM4E 1290/4885
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE MAPT 1266/4885ALDH1A1 412/4885KDM4E 1290/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC MAPT 1212/4885ALDH1A1 21/4885KDM4E 1140/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO MAPT 1109/4885ALDH1A1 36/4885KDM4E 2265/4885

“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.