SCHEMBL1783648

SCHEMBL1783648

CCCC=CCC(C)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
FAAH O00519 2/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
LTB4R Q15722 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1783646 1.00 TAS1R3 (0.36) TAS1R3TAS1R1FAAHFFAR1FFAR4
SCHEMBL1783825 0.88 F7 (0.46) FAAHFFAR1FFAR4SMN1; SMN2SLC6A5
SCHEMBL1783823 0.88 F7 (0.46) FAAHFFAR1FFAR4SMN1; SMN2SLC6A5
SCHEMBL17822453 0.86 TERT (0.48) FAAHFFAR1FFAR4SMN1; SMN2MAPT
SCHEMBL3270491 0.83 ACE2 (0.38) TAS1R3TAS1R1FAAHFFAR1FFAR4
SCHEMBL6302500 0.83 ACE2 (0.38) TAS1R3TAS1R1FAAHFFAR1FFAR4
SCHEMBL18136594 0.82 GRIK1 (0.41) FFAR1FFAR4ALDH1A1MAPT
SCHEMBL17720228 0.82 GRIK1 (0.41) FFAR1FFAR4ALDH1A1MAPT
SCHEMBL3069383 0.81 TOP1 (0.37) TAS1R3TAS1R1FAAHFFAR1FFAR4
SCHEMBL3069381 0.81 TOP1 (0.37) TAS1R3TAS1R1FAAHFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402866-A1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING RENEWABLE COMPONENTS The Procter and Gamble Company (US) 2018-11-21 EP disclosed
WO-2017123457-A1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING RENEWABLE COMPONENTS THE PROCTER & GAMBLE COMPANY (US) 2017-07-20 WO disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 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 (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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 TAS1R3 65/4885TAS1R1 21/4885FAAH 94/4885

“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.