SCHEMBL1282

SCHEMBL1282

O=[C]OCC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
HPGD P15428 3/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
GSK3B P49841 2/20 0.48
ALDH1A1 P00352 2/20 0.48
PTPN1 P18031 2/20 0.48
TRPA1 O75762 1/20 0.48
HIF1A Q16665 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL10465722 0.80 GSK3B (0.53) MAPTHPGDMEN1KMT2AKDM4E
SCHEMBL11074836 0.80 GSK3B (0.53) MAPTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL11450666 0.80 NPC1 (0.53) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL5540665 0.80 TDP1 (0.53) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL864716 0.78 MAPT (0.61) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL773970 0.77 HDAC3 (0.58) MAPTCES1GSK3BALDH1A1NPC1
SCHEMBL5544353 0.77 TDP1 (0.60) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL5543825 0.76 TDP1 (0.63) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL28200543 0.76 MAPT (0.58) MAPTTDP1HPGDMAPK1SMN1; SMN2
SCHEMBL571114 0.76 TDP1 (0.58) MAPTTDP1HPGDMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101139324-B Amido protecting agent and preparation method thereof UNIV XIAMEN 2010-08-04 CN claimed
CN-101139324-A Amido protecting agent and preparation method thereof UNIV XIAMEN (CN) 2008-03-12 CN claimed
JP-2007501805-A 2007-02-01 JP claimed
US-7144700-B1 Photolithographic solid-phase polymer synthesis AFFYMETRIX, INC. (US) 2006-12-05 US claimed
EP-1651638-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP claimed
US-6888001-B2 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2005-05-03 US claimed
US-20050049241-A1 Pyridyl piperazinyl ureas JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US claimed
WO-2005014580-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 WO claimed
EP-1107965-B1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO MCNEIL PHARM INC (US) 2004-08-11 EP claimed
US-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2003-11-06 US claimed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed
US-4162251-A Process for the preparation of β-lactam compounds SANKYO COMPANY LIMITED (JP) 1979-07-24 US claimed
US-4138486-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1979-02-06 US claimed
US-4064122-A Hydroxy-substituted cephalosporins ISHIMARU TOSHIYASU 1977-12-20 US claimed
US-4053286-A ACYLATION MERCK & CO., INC. (US) 1977-10-11 US claimed
US-4024249-A FOR COMBATTING MICROORGANISMS CIBA-GEIGY CORPORATION (US) 1977-05-17 US claimed
US-4017488-A Process for preparing 7β-acylamino-7α-alkoxycephalosporins SANKYO COMPANY LIMITED (JA) 1977-04-12 US claimed
US-4014873-A Process for the production of 7-acylamidocephalosporins MERCK & CO., INC. (US) 1977-03-29 US claimed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 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-20050049241-A1 Pyridyl piperazinyl ureas VIPR1, UTS2R, GPR17 MAPT 4162/4885TDP1 3242/4885HPGD 552/4885
US-20030207858-A1 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. CHRM1, CHRM5, CHRM2 MAPT 153/4885TDP1 670/4885HPGD 1538/4885

“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.