SCHEMBL528454

SCHEMBL528454

C=CCC1CCCC(CC=C)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.36
NOS2 P35228 4/20 0.36
NOS3 P29474 2/20 0.36
PRSS1 P07477 2/20 0.34
CTRC Q99895 2/20 0.34
F2 P00734 1/20 0.34
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
DPP4 P27487 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
SCHEMBL1080501 0.88
SCHEMBL815098 0.88 NOS1 (0.39) NOS1NOS2NOS3PRSS1CTRC
SCHEMBL18975405 0.85 NOS3 (0.32) NOS1NOS2NOS3PRSS1CTRC
SCHEMBL3965582 0.84 SMN1; SMN2 (0.32) NOS1NOS2NOS3PRSS1CTRC
SCHEMBL3969909 0.84 SMN1; SMN2 (0.32) NOS1NOS2NOS3PRSS1CTRC
SCHEMBL3969911 0.84 SMN1; SMN2 (0.32) NOS1NOS2NOS3PRSS1CTRC
SCHEMBL89861 0.82
SCHEMBL3263258 0.82 ADH1B (0.34) PRSS1CTRCF2ADH1BADH1C
SCHEMBL3267150 0.82
SCHEMBL7740961 0.80 NOS1 (0.42) NOS1NOS2NOS3PRSS1CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090130153-A1 Emulsifier Combination, Emulsion Containing the Emulsifier Combination, and a Process for its Production COGNIS IP MANAGEMENT GMBH (DE) 2009-05-21 US claimed
US-20090131542-A1 Emulsifier Combination, Emulsion Containing the Emulsifier Combination, and a Process for its Production COGNIS IP MANAGEMENT GMBH (DE) 2009-05-21 US claimed
US-20050025957-A1 Emulsifier combination, emulsion containing the emulsifier combination, and a process for its production COGNIS IP MANAGEMENT GMBH (DE) 2005-02-03 US claimed
EP-0072988-B1 USE OF 1,3-DIALKYLCYCLOHEXANES AS COSMETICAL OIL COMPONENT Henkel Kommanditgesellschaft auf Aktien (DE) 1985-10-02 EP claimed
US-4457944-A REFATTING OILS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-07-03 US claimed
EP-2052063-B1 LECITHIN EMULSIONS AS CONVEYOR SYSTEM LUBRICANTS ECOLAB USA INC (US) 2019-07-24 EP disclosed
US-9750668-B2 Emulsion concentrate COGNIS IP MANAGEMENT GMBH (DE) 2017-09-05 US disclosed
EP-2051692-B1 EMULSION CONCENTRATE COGNIS IP MAN GMBH (DE) 2016-07-13 EP disclosed
EP-2010131-B1 DISPERSIONS COMPRISING ACYLGLUTAMATES COGNIS IP MAN GMBH (DE) 2014-06-04 EP disclosed
US-8642055-B2 Free-flowing emulsion concentrates COGNIS IP MANAGEMENT GMBH (DE) 2014-02-04 US disclosed
EP-2314276-B1 Dispersions containing acylglutamate COGNIS IP MAN GMBH (DE) 2013-07-17 EP disclosed
US-8357381-B2 Dispersions comprising acylglutamates COGNIS IP MANAGEMENT GMBH (DE) 2013-01-22 US disclosed
EP-0217250-A2 Foaming surfactant preparations with clear, solubilized water insoluble oil components Henkel Kommanditgesellschaft auf Aktien (DE) 1987-04-08 EP disclosed
EP-0072988-B1 USE OF 1,3-DIALKYLCYCLOHEXANES AS COSMETICAL OIL COMPONENT Henkel Kommanditgesellschaft auf Aktien (DE) 1985-10-02 EP disclosed
EP-0072988-B1 USE OF 1,3-DIALKYLCYCLOHEXANES AS COSMETICAL OIL COMPONENT Henkel Kommanditgesellschaft auf Aktien (DE) 1985-10-02 EP disclosed
US-4457944-A REFATTING OILS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-07-03 US disclosed
US-4457944-A REFATTING OILS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-07-03 US disclosed
US-4457944-A REFATTING OILS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1984-07-03 US disclosed
EP-0072988-A1 Use of 1,3-Dialkylcyclohexanes as cosmetical oil component Henkel Kommanditgesellschaft auf Aktien (DE) 1983-03-02 EP disclosed
EP-0072988-A1 Use of 1,3-Dialkylcyclohexanes as cosmetical oil component Henkel Kommanditgesellschaft auf Aktien (DE) 1983-03-02 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-20090130153-A1 Emulsifier Combination, Emulsion Containing the Emulsifier Combination, and a Process for its Production GLUL, MOGAT2, AGXT NOS1 4511/4885NOS2 4110/4885NOS3 4396/4885
US-20090131542-A1 Emulsifier Combination, Emulsion Containing the Emulsifier Combination, and a Process for its Production GLUL, MOGAT2, AGXT NOS1 4511/4885NOS2 4110/4885NOS3 4396/4885

“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.