SCHEMBL96667

SCHEMBL96667

COc1ccc(O[C]=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.58
CA2 P00918 7/20 0.58
CA9 Q16790 3/20 0.58
CA7 P43166 2/20 0.58
CA12 O43570 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ACHE P22303 1/20 0.48
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 1/20 0.46
PKM P14618 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 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
SCHEMBL8142070 0.86 CA2 (0.32) CA1CA2CA9CA7CA12
SCHEMBL2092734 0.79 ALDH1A1 (0.58) CA1CA2CA9CA7CA12
SCHEMBL95901 0.79 ACHE (0.48) CA1CA2CA9ACHEALDH1A1
1,4-Dimethoxybenzene SCHEMBL9648022 0.78 CA1 (0.65) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL28441075 0.78 CA1 (0.65) CA1CA2CA9CA7CA12
SCHEMBL98035 0.77 ACHE (0.50) CA1CA2CA9CA7ACHE
1,4-Dimethoxybenzene SCHEMBL8489 0.76 CA1 (1.00) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL21802643 0.76 CA1 (1.00) CA1CA2CA9CA7CA12
SCHEMBL95360 0.75 CA2 (0.61) CA1CA2CA9CA7CA12
SCHEMBL4753435 0.74 CA1 (0.58) CA1CA2CA9CA7CA12

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 1144 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1134222-B1 IMIDAZO[4,5-b]PYRIDINIUMMETHYL-CONTAINING CEPHEM COMPOUNDS HAVING BROAD ANTIBACTERIAL SPECTRUM SHIONOGI & CO (JP) 2005-04-13 EP claimed
EP-1019378-B1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2004-09-29 EP 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
EP-0799827-B1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-05-12 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-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 US claimed
EP-0950057-B1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LAB (US) 2002-11-13 EP claimed
WO-2002062785-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND USE THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO claimed
JP-2002514197-A 2002-05-14 JP claimed
EP-0160252-B1 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1992-08-26 EP claimed
EP-0354297-B1 THIADIAZINES, PROCESS FOR PRODUCTION THEREOF, AND INSECTICIDAL AND ACARICIDAL AGENTS COMPRISING THE THIADIAZINES MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-08-05 EP claimed
WO-1992006959-A1 1,2,5,6-TETRAHYDROPYRIDINE OXIME DERIVATIVES BEECHAM GROUP PLC (GB) 1992-04-30 WO claimed
US-4916128-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 US claimed
US-4909935-A Chromatographic arylcarboxamide polysiloxanes BRIGHAM YOUNG UNIVERSITY (US) 1990-03-20 US claimed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US claimed
US-4650868-A 7-deazapurine derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-03-17 US claimed
US-4288364-A REACTING A 3-/2-HYDROXYIMINOACETYLAMINO/-2-OXOAZETIDINE WITH AN ORGANIC CARBONATE OR ACYL HALIDE CIBA-GEIGY CORPORATION (US) 1981-09-08 US claimed
US-4113495-A 2,4,4-TRIMETHYL-2-(2,5-DIHYDROXYPHENYL)-6-HYDROXY-CHROMANS FUJI PHOTO FILM CO., LTD. (JP) 1978-09-12 US claimed
US-3951951-A Azetidinones BEECHAM GROUP LIMITED (EN) 1976-04-20 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 (1 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-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 CA1 1155/4885CA2 2486/4885CA9 4240/4885

“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.