SCHEMBL89430

SCHEMBL89430

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.54
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 3/20 0.42
KDM6B O15054 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
KDM3A Q9Y4C1 1/20 0.42
PLA2G4B P0C869 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NR1H4 Q96RI1 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 2/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL89250 0.94 MAPT (0.53) PLA2G2AMAPTRAB9AKDM4EKMT2A
SCHEMBL39386 0.92 MAPT (0.53) PLA2G2AMAPTRAB9AKDM4EKMT2A
SCHEMBL3490269 0.90 MAPT (0.53) PLA2G2AMAPTRAB9AKDM4EKMT2A
SCHEMBL3487150 0.89 PLA2G2A (0.67) PLA2G2ARAB9AKMT2APLA2G4BNR1H4
SCHEMBL2772131 0.88 PLA2G2A (0.67) PLA2G2AMAPTRAB9AKMT2APLA2G4B
SCHEMBL3858281 0.86 PLA2G2A (0.59) PLA2G2AMAPTRAB9AKDM4EKMT2A
SCHEMBL89596 0.86 RAB9A (0.50) PLA2G2AMAPTRAB9AKDM4EALDH1A1
SCHEMBL38987 0.85 MAPT (0.59) PLA2G2AMAPTRAB9AKDM4EALDH1A1
SCHEMBL9402625 0.85 PLA2G2A (0.77) PLA2G2APLA2G4BNR1H4
SCHEMBL13461247 0.84 PLA2G2A (0.54) PLA2G2AMAPTRAB9AKDM4EPLA2G4B

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 23 patents — showing the first 20. 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
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP 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-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
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 WO 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 (5 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 PLA2G2A 4121/4885MAPT 3236/4885RAB9A 3743/4885
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE PLA2G2A 4445/4885MAPT 1266/4885RAB9A 639/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 PLA2G2A 3728/4885MAPT 1089/4885RAB9A 500/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC PLA2G2A 4244/4885MAPT 1212/4885RAB9A 790/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO PLA2G2A 3960/4885MAPT 1109/4885RAB9A 638/4885

“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.