SCHEMBL6399107

SCHEMBL6399107

COc1ccc(C(OC(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
ACP3 P15309 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
LDHA P00338 1/20 0.47
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
PAX8 Q06710 1/20 0.46
PTGS2 P35354 3/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
PTGS1 P23219 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CDC42 P60953 1/20 0.46
RAC1 P63000 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
SCHEMBL6444093 0.84 CES2 (0.47) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL6474804 0.84 CES2 (0.47) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL27804095 0.82 PTGS2 (0.49) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL10764332 0.82 CES2 (0.45) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL28657119 0.81 CA1 (0.47) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL38664793 0.81 CYP1A2 (0.49) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL14648180 0.79 MAPT (0.53) CA1CA2ACP3L3MBTL1LDHA
SCHEMBL10608029 0.78 TGM2 (0.47) CA1CA2ACP3L3MBTL1CES2
SCHEMBL14648184 0.78 MAPT (0.52) ACP3L3MBTL1CES2CES1RAB9A
SCHEMBL13427773 0.77 GAA (0.50) NPSR1MEN1KMT2ACYP1A2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-6867297-B1 Process for synthesizing 4-substituted azetidinone derivatives DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0638552-B1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-06-04 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
EP-0638552-A1 PROCESS FOR SYNTHESIZING 4-SUBSTITUTED AZETIDINONE DERIVATIVE SUNTORY LIMITED (JP) 1995-02-15 EP 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 (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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CA1 23/4885CA2 608/4885ACP3 387/4885
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 CA1 4842/4885CA2 4652/4885ACP3 2541/4885

“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.