SCHEMBL627799

SCHEMBL627799

CCCCN(CCCC)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.45
CYP1A2 P05177 1/20 0.44
ADH1C P00326 3/20 0.42
DRD3 P35462 3/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 1/20 0.40
HTR1A P08908 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADH4 P08319 1/20 0.35

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
Fluoride SCHEMBL9620624 0.98 ADH1A (0.44) ADH1ACYP1A2ADH1CDRD3DRD2
Bromide SCHEMBL28388955 0.98 ADH1A (0.44) ADH1ACYP1A2ADH1CDRD3DRD2
SCHEMBL517191 0.98 ADH1A (0.43) ADH1ACYP1A2ADH1CDRD3DRD2
SCHEMBL16002750 0.96 ADH1A (0.42) ADH1ACYP1A2ADH1CDRD3DRD2
SCHEMBL16002812 0.96 ADH1A (0.42) ADH1ACYP1A2ADH1CDRD3DRD2
SCHEMBL28204469 0.94 ADH1A (0.44) ADH1ACYP1A2ADH1CDRD3DRD2
SCHEMBL3377433 0.93 ADH1A (0.45) ADH1ACYP1A2ADH1CDRD3DRD2
SCHEMBL9551192 0.93 ADH1A (0.44) ADH1ACYP1A2ADH1CDRD3DRD2
SCHEMBL6062901 0.93 ADH1A (0.44) ADH1ACYP1A2ADH1CDRD3DRD2
SCHEMBL15933353 0.91 ADH1A (0.46) ADH1ACYP1A2ADH1CDRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019203427-A1 CHELATING AGENT HAVING EXCELLENT PROPERTY OF SELECTIVELY FORMING COMPLEX WITH SPECIFIC METAL ION, AND PRODUCTION METHOD THEREFOR (주)이엠티 2019-10-24 WO claimed
EP-2768891-B1 FIBRE REINFORCED POLYISOCYANURATE COMPONENT AND METHOD FOR ITS PRODUCTION COVESTRO DEUTSCHLAND AG (DE) 2018-08-08 EP claimed
CN-104768993-B Method for preparing composite component 科思创德国股份有限公司 2018-02-16 CN claimed
CN-103890059-B Fiber strengthened poly-isocyanurate part and its manufacture method 科思创德国股份有限公司 2017-07-18 CN claimed
US-20160288377-A1 METHOD FOR PRODUCING COMPOSITE COMPONENTS COVESTRO DEUTSCHLAND AG (DE) 2016-10-06 US claimed
EP-2920220-A1 METHOD FOR PRODUCING COMPOSITE COMPONENTS Bayer Materialscience AG (DE) 2015-09-23 EP claimed
CN-104768993-A Method for producing composite components BAYER MATERIALSCIENCE AG 2015-07-08 CN claimed
US-20150125703-A1 FIBER-REINFORCED POLYISOCYANURATE COMPONENT AND A METHOD FOR PRODUCTION THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-07 US claimed
EP-2768891-A1 FIBRE-REINFORCED POLYISOCYANURATE COMPONENT AND A METHOD FOR PRODUCTION THEREOF Bayer Intellectual Property GmbH (DE) 2014-08-27 EP claimed
CN-103890059-A FIBRE-REINFORCED POLYISOCYANURATE COMPONENT AND A METHOD FOR PRODUCTION THEREOF BAYER IP GMBH 2014-06-25 CN claimed
WO-2013057070-A1 FIBRE-REINFORCED POLYISOCYANURATE COMPONENT AND A METHOD FOR PRODUCTION THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-25 WO claimed
US-7351339-B2 Using an auxiliary base to form a salt with the acid which is liquid at low enough temperature so that value product does not decompose during the removal of the liquid salt; e.g. acid catalyst removal; ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2008-04-01 US claimed
EP-1739154-A2 Lubricity additive for fuels Afton Chemical Corporation (US) 2007-01-03 EP claimed
US-20060288638-A1 Lubricity additive for fuels AFTON CHEMICAL CORPORATION 2006-12-28 US claimed
JP-2005515246-A 2005-05-26 JP claimed
EP-1472201-A2 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2004-11-03 EP claimed
US-20040073035-A1 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2004-04-15 US claimed
WO-2003062171-A2 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AKTIENGESELLSCHAFT (DE) 2003-07-31 WO claimed
EP-0676429-B1 Composition for urethane-based plastic lens MITSUI CHEMICALS INC (JP) 2000-12-27 EP claimed
US-3937691-A Manufacture of poly (α-olefins) BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-02-10 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-20040073035-A1 Removal by salt formation ELOB, SNRPB2, REN ADH1A 1599/4885CYP1A2 4599/4885ADH1C 400/4885

“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.