SCHEMBL20550607

SCHEMBL20550607

C/C=C/C=C/C=C/C(CCCCC)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
EPHX1 P07099 1/20 0.38
PPARG P37231 2/20 0.36
GPR132 Q9UNW8 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
SMPD1 P17405 3/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LTB4R Q15722 1/20 0.35
GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL20550608 1.00 FPR2 (0.39) FPR2NFKB1NFKB2RELATRPA1
SCHEMBL17768031 0.95 CA2 (0.43) FPR2NFKB1NFKB2RELATRPA1
SCHEMBL16754663 0.95 CA2 (0.43) FPR2NFKB1NFKB2RELATRPA1
Hydrochloric Acid SCHEMBL20550683 0.93 CA2 (0.42) FPR2NFKB1NFKB2RELATRPA1
Hydrochloric Acid SCHEMBL20550684 0.93 CA2 (0.42) FPR2NFKB1NFKB2RELATRPA1
SCHEMBL2201833 0.84 GPR84 (0.41) MAPTCA1CA2EPHX1SMPD1
SCHEMBL13493335 0.77 CA1 (0.44) MAPTCA1CA2EPHX1GPR84
SCHEMBL4474432 0.75 GPR84 (0.42) MAPTCA1CA2EPHX1GPR84
SCHEMBL28754635 0.75 GPR84 (0.42) MAPTCA1CA2EPHX1GPR84
SCHEMBL7788154 0.75 GPR84 (0.42) MAPTCA1CA2EPHX1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FPR2 3790/4885NFKB1 804/4885NFKB2 1251/4885

“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.