SCHEMBL2649338

SCHEMBL2649338

[CH2]/C=C/CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CHRM5 P08912 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL441910 1.00 ADH1B (0.34) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6801537 0.97
SCHEMBL2240670 0.97
SCHEMBL8941237 0.92
SCHEMBL962973 0.92
SCHEMBL1482074 0.86
SCHEMBL1482073 0.86
SCHEMBL29860701 0.80 ADH1B (0.36) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28216071 0.78 ADH1B (0.37) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11144495 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0205834-B1 7-THIABICYCLOHEPTANE SUBSTITUTED ETHERS E.R. Squibb & Sons, Inc. (US) 1990-10-31 EP claimed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP claimed
CN-107027309-B Antibacterial agent 昆士兰大学 2021-10-01 CN disclosed
US-10947271-B2 Antibacterial agents THE UNIVERSITY OF QUEENSLAND (AU) 2021-03-16 US disclosed
US-20170204138-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-20 US disclosed
EP-3105244-A1 ANTIBACTERIAL AGENTS The University Of Queensland (AU) 2016-12-21 EP disclosed
WO-2015117196-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-13 WO disclosed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US disclosed
EP-1495044-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. Uriach y Compania S.A. (ES) 2005-01-12 EP disclosed
US-20040133938-A1 Use of lipoic acid in plant culture media MONSANTO TECHNOLOGY LLC 2004-07-08 US disclosed
US-20040023882-A1 PTH derivatives resistant to skin proteases THERATECHNOLOGIES INC. (CA) 2004-02-05 US disclosed
EP-1061914-A1 LIPOIC ACID ANALOGS REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-27 EP disclosed
CN-1267281-A Glucagon antagonists/inverse agonists NOVO NORDISK AS (DK) 2000-09-20 CN disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999045922-A1 LIPOIC ACID ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-16 WO disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed
EP-0205834-B1 7-THIABICYCLOHEPTANE SUBSTITUTED ETHERS E.R. Squibb & Sons, Inc. (US) 1990-10-31 EP disclosed
US-4333940-A Ring-fluorinated 4-(monosubstituted-amino) phenyl compounds in inhibiting atherosclerotic lesion development AMERICAN CYANAMID COMPANY (US) 1982-06-08 US disclosed
US-4243609-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-01-06 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 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 (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-20040133938-A1 Use of lipoic acid in plant culture media TTPA, TST, LRAT ADH1B 530/4885ADH1C 2632/4885ADH1A 1800/4885
US-20170204138-A1 ANTIBACTERIAL AGENTS VNN1, ASNS, AAAS ADH1B 4034/4885ADH1C 4847/4885ADH1A 4650/4885
US-10947271-B2 Antibacterial agents VNN1, ASNS, AAAS ADH1B 4034/4885ADH1C 4847/4885ADH1A 4650/4885
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 ADH1B 1794/4885ADH1C 1895/4885ADH1A 829/4885

“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.