SCHEMBL21558

SCHEMBL21558

CCCCCCN(C)CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.60
S1PR2 O95136 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
S1PR5 Q9H228 1/20 0.50
TSHR P16473 2/20 0.47
THRB P10828 1/20 0.47
GGPS1 O95749 4/20 0.47
CHRM2 P08172 1/20 0.43
MGLL Q99685 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
PHF8 Q9UPP1 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FDPS P14324 1/20 0.41
AGTR1 P30556 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL5440531 1.00 DNM1 (0.60) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL15966132 1.00 DNM1 (0.60) DNM1S1PR2S1PR1S1PR3S1PR5
Octane SCHEMBL639592 1.00 DNM1 (0.60) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL5450820 1.00 DNM1 (0.60) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL669422 1.00 DNM1 (0.60) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL2325537 1.00 DNM1 (0.60) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL5450695 1.00 DNM1 (0.60) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL5439333 1.00 DNM1 (0.60) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL2129520 1.00 DNM1 (0.60) DNM1S1PR2S1PR1S1PR3S1PR5
SCHEMBL613171 1.00 DNM1 (0.60) DNM1S1PR2S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210039158-A1 USE OF AMINE BLENDS FOR FOUNDRY SHAPED CORES AND CASTING METALS ARKEMA FRANCE (FR) 2021-02-11 US claimed
CN-105939736-B Odor masking amine compositions 阿肯马法国公司 2020-11-06 CN claimed
EP-3102249-B1 ODOUR-MASKED AMINE COMPOSITION ARKEMA FRANCE (FR) 2019-10-16 EP claimed
US-10315982-B2 Odour-masked amine composition ARKEMA FRANCE (FR) 2019-06-11 US claimed
EP-2106310-B1 USE OF AMINE BLENDS FOR FOUNDRY SHAPED CORES AND CASTING METALS ARKEMA FRANCE (FR) 2019-05-22 EP claimed
EP-3102249-A1 ODOUR-MASKED AMINE COMPOSITION Arkema France (FR) 2016-12-14 EP claimed
US-20160340292-A1 ODOUR-MASKED AMINE COMPOSITION ARKEMA FRANCE (FR) 2016-11-24 US claimed
EP-1928246-B1 A SYNERGISTIC BIOCIDE AND PROCESS FOR CONTROLLING GROWTH OF MICROORGANISMS SOLENIS TECHNOLOGIES CAYMAN LP (CH) 2016-08-24 EP claimed
US-20160067768-A1 USE OF AMINE BLENDS FOR FOUNDRY SHAPED CORES AND CASTING METALS ARKEMA FRANCE (FR) 2016-03-10 US claimed
WO-2015118254-A1 ODOUR-MASKED AMINE COMPOSITION ARKEMA FRANCE (FR) 2015-08-13 WO claimed
CN-1325388-C Synergistic biocidal mixtures HERCULES INC (US) 2007-07-11 CN claimed
US-20070049642-A1 Method and apparatus for producing synergistic biocide THE BANK OF NEW YORK MELLON TRUST COMPANY, N.A., AS NOTES COLLATERAL AGENT 2007-03-01 US claimed
WO-2007025184-A2 METHOD AND APPARATUS FOR PRODUCING SYNERGISTIC BIOCIDE HERCULES INCORPORATED (US) 2007-03-01 WO claimed
WO-2007025087-A2 A SYNERGISTIC BIOCIDE AND PROCESS FOR CONTROLLING GROWTH OF MICROORGANISMS HERCULES INCORPORATED (US) 2007-03-01 WO claimed
US-20070045199-A1 Synergistic biocide and process for controlling growth of microorganisms BIRKO CORPORATION 2007-03-01 US claimed
CN-1678534-A Synergistic biocidal mixtures HERCULES INC (US) 2005-10-05 CN claimed
WO-2004018368-A1 SYNERGISTIC BIOCIDAL MIXTURES HERCULES INCORPORATED (US) 2004-03-04 WO claimed
US-20040035803-A1 Synergistic biocidal mixtures SOLENIS TECHNOLOGIES, L.P. 2004-02-26 US claimed
EP-1391430-A1 Synergistic biocidal mixtures HERCULES INCORPORATED (US) 2004-02-25 EP claimed
US-6413929-B1 MIXTURE OF PEROXY COMPOUND AND AMINE BASF AKTIENGESELLSCHAFT (DE) 2002-07-02 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-20160340292-A1 ODOUR-MASKED AMINE COMPOSITION OR51E2, OR10J3, PNMT DNM1 4220/4885S1PR2 1693/4885S1PR1 2061/4885
US-10315982-B2 Odour-masked amine composition OR51E2, OR10J3, CHRM1 DNM1 4383/4885S1PR2 1708/4885S1PR1 2081/4885

“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.