Dimethylamine

Dimethylamine

SCHEMBL3686153

CC(=O)Oc1ccccn1.CNC

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 2/20 0.46
ESR1 P03372 2/20 0.46
ABCB11 O95342 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2C9 P11712 1/20 0.46
PDE4A P27815 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
STAT6 P42226 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL29721865 0.94 KDM4E (0.50) KDM4ETSHRLMNACYP3A4ESR1
SCHEMBL680046 0.94 KDM4E (0.50) KDM4ETSHRLMNACYP3A4ESR1
Hydrochloric Acid SCHEMBL711904 0.92 KDM4E (0.49) KDM4ETSHRLMNACYP3A4ESR1
SCHEMBL11122315 0.92 KDM4E (0.49) KDM4ETSHRLMNACYP3A4ESR1
Formic Acid SCHEMBL28236591 0.87 KDM4E (0.45) KDM4ETSHRLMNACYP3A4ESR1
Pyrrole SCHEMBL28102266 0.84 TSHR (0.43) KDM4ETSHRLMNACYP3A4ESR1
Maleic Acid SCHEMBL27920212 0.84 KDM4E (0.44) KDM4ETSHRLMNACYP3A4ESR1
SCHEMBL9685375 0.82 KDM4E (0.41) KDM4ETSHRLMNACYP3A4ESR1
SCHEMBL12052657 0.81 ALDH1A1 (0.49) KDM4ETSHRLMNAALDH1A1NPC1
SCHEMBL245065 0.79 NPC1 (0.46) KDM4ETSHRLMNACYP3A4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028231-A Process for preparing 2-methyl-4-(2,2,3-trimethyl-cyclopent-3-en-1-yl)-but-2-en-1-ol HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-02-22 US claimed
EP-1957437-B1 PROCESS FOR PRODUCING ALPHA,BETA-UNSATURATED ALDEHYDE COMPOUNDS KAO CORP (JP) 2017-05-03 EP disclosed
US-7732644-B2 Process for producing α,β-unsaturated aldehyde compounds KAO CORPORATION (JP) 2010-06-08 US disclosed
US-20090171124-A1 PROCESS FOR PRODUCING ALPHA, BETA-UNSATURATED ALDEHYDE COMPOUNDS KAO CORPORATION (JP) 2009-07-02 US disclosed
EP-1957437-A1 PROCESS FOR PRODUCING ALPHA,BETA-UNSATURATED ALDEHYDE COMPOUNDS Kao Corporation (JP) 2008-08-20 EP disclosed
WO-2007063703-A1 PROCESS FOR PRODUCING α,β-UNSATURATED ALDEHYDE COMPOUNDS KAO CORPORATION (JP) 2007-06-07 WO disclosed
US-7169749-B1 Aldol condensation carried out in an inert organic solvent, and reduction of the corresponding unsaturated aldehydes in the presence of copper/zinc catalysts, the process being carried out continuously under isothermal conditions in a narrow temperature range KAO CORPORATION (JP) 2007-01-30 US disclosed
US-6028231-A Process for preparing 2-methyl-4-(2,2,3-trimethyl-cyclopent-3-en-1-yl)-but-2-en-1-ol HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-02-22 US 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 (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-20090171124-A1 PROCESS FOR PRODUCING ALPHA, BETA-UNSATURATED ALDEHYDE COMPOUNDS ADH1C, ADH1A, ADH5 KDM4E 4701/4885TSHR 4189/4885LMNA 425/4885

“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.