SCHEMBL97243

SCHEMBL97243

C1CCCCC(N(C2CCCCCCCC2)C2CCCCCCCC2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 9/20 0.43
ADH1C P00326 6/20 0.41
PHGDH O43175 2/20 0.39
ADH4 P08319 1/20 0.38
ADH1B P00325 1/20 0.36
FDPS P14324 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL19591979 1.00 ADH1A (0.43) ADH1AADH1CPHGDHADH4ADH1B
SCHEMBL19591971 1.00 ADH1A (0.43) ADH1AADH1CPHGDHADH4ADH1B
SCHEMBL99438 1.00 ADH1A (0.43) ADH1AADH1CPHGDHADH4ADH1B
SCHEMBL19592023 1.00 ADH1A (0.43) ADH1AADH1CPHGDHADH4ADH1B
SCHEMBL19591972 1.00 ADH1A (0.43) ADH1AADH1CPHGDHADH4ADH1B
SCHEMBL11277355 1.00 ADH1A (0.43) ADH1AADH1CPHGDHADH4ADH1B
SCHEMBL19997015 1.00 ADH1A (0.43) ADH1AADH1CPHGDHADH4ADH1B
SCHEMBL65968 1.00 ADH1A (0.43) ADH1AADH1CPHGDHADH4ADH1B
SCHEMBL21289754 1.00 ADH1A (0.43) ADH1AADH1CPHGDHADH4ADH1B
SCHEMBL19997021 1.00 ADH1A (0.43) ADH1AADH1CPHGDHADH4ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9929343-B2 Organic semiconductor doping process OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-03-27 US disclosed
US-9818944-B2 Organic semiconductor doping process OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-11-14 US disclosed
EP-2248821-B1 SUBSTRATE FOR ASSAYING -GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD WAKO PURE CHEM IND LTD (JP) 2015-01-28 EP disclosed
US-8921124-B2 Pyrazole-based cyanine dye WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-12-30 US disclosed
EP-2426123-B1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEM IND LTD (JP) 2014-08-06 EP disclosed
US-8546072-B2 Substrate for assaying β-glucan and/or endotoxin and assay method WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
US-8546586-B2 Pyrazole-based cyanine dye containing quaternary ammonium cation WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
WO-2012033298-A3 METHOD FOR MANUFACTURING A NOX GAS SENSOR, AND NOX GAS SENSOR MANUFACTURED USING SAME 일진머티리얼즈 주식회사 (KR) 2012-05-10 WO disclosed
EP-2426123-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION Wako Pure Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 US disclosed
EP-2006289-B1 PYRAZOLE-TYPE CYANINE DYE WAKO PURE CHEM IND LTD (JP) 2011-11-30 EP disclosed
US-20100330700-A1 SUBSTRATE FOR ASSAYING BETA-GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-30 US disclosed
EP-2248821-A1 SUBSTRATE FOR ASSAYING -GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD Wako Pure Chemical Industries, Ltd. (JP) 2010-11-10 EP disclosed
US-20090069546-A1 PYRAZOLE-BASED CYANINE DYE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-03-12 US disclosed
EP-2006289-A1 PYRAZOLE-TYPE CYANINE DYE Wako Pure Chemical Industries, Ltd. (JP) 2008-12-24 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-20090069546-A1 PYRAZOLE-BASED CYANINE DYE CBR3, CYB5R3, TST ADH1A 2847/4885ADH1C 3114/4885PHGDH 4155/4885
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION SLC43A1, HCN4, SLC7A5 ADH1A 3134/4885ADH1C 2916/4885PHGDH 4038/4885

“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.