SCHEMBL4177958

SCHEMBL4177958

CCCCCCCCC=CCCCCCCCCCCCCOCCCN

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.49
LPAR2 Q9HBW0 1/20 0.49
LPAR3 Q9UBY5 1/20 0.49
FAAH O00519 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
DNM1 Q05193 3/20 0.46

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
SCHEMBL1980991 1.00 LPAR1 (0.49) LPAR1LPAR2LPAR3FAAHTRPV1
SCHEMBL1980993 1.00 LPAR1 (0.49) LPAR1LPAR2LPAR3FAAHTRPV1
SCHEMBL4177952 1.00 LPAR1 (0.49) LPAR1LPAR2LPAR3FAAHTRPV1
Bromide SCHEMBL28661101 0.98 DNM1 (0.48) LPAR1LPAR2LPAR3FAAHTRPV1
Hydrochloric Acid SCHEMBL28863390 0.98 DNM1 (0.48) LPAR1LPAR2LPAR3DNM1
SCHEMBL4633585 0.96 LPAR2 (0.49) LPAR1LPAR2LPAR3FAAHTRPV1
Dectaflur SCHEMBL28249022 0.96 DNM1 (0.52) DNM1
SCHEMBL25302771 0.94 ALDH1A1 (0.53)
SCHEMBL25169135 0.94 ALDH1A1 (0.53)
Bromide SCHEMBL4908906 0.94 LPAR3 (0.47) LPAR1LPAR2LPAR3DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256998-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AKZO NOBEL N.V. (NL) 2014-09-11 US disclosed
US-8821754-B2 Additive for preserving the fluidity of fluids containing gas hydrates AKZO NOBEL N.V. (NL) 2014-09-02 US disclosed
EP-1996669-B1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AKZO NOBEL NV (NL) 2012-09-26 EP disclosed
US-20090114879-A1 Additive for preserving the fluidity of fluids containing gas hydrates AKZO NOBEL N.V. (NL) 2009-05-07 US disclosed
EP-1996669-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES Akzo Nobel N.V. (NL) 2008-12-03 EP disclosed
WO-2008077849-A1 AMINE FORMULATIONS FOR REVERSE FROTH FLOTATION OF SILICATES FROM IRON ORE AKZO NOBEL N.V. (NL) 2008-07-03 WO disclosed
WO-2007107502-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AKZO NOBEL N.V. (NL) 2007-09-27 WO 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-20090114879-A1 Additive for preserving the fluidity of fluids containing gas hydrates AQP1, AQP3, AQP4 LPAR1 2547/4885LPAR2 2269/4885LPAR3 1992/4885
US-20140256998-A1 ADDITIVE FOR PRESERVING THE FLUIDITY OF FLUIDS CONTAINING GAS HYDRATES AQP1, AQP4, AQP3 LPAR1 3338/4885LPAR2 3186/4885LPAR3 3651/4885

“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.