SCHEMBL2663977

SCHEMBL2663977

O=C(O)CCCC1C=CC(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
ALOX5 P09917 1/20 0.35
NFKB1 P19838 3/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
LMNA P02545 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
F13A1 P00488 3/20 0.34
PPARG P37231 2/20 0.33
TSHR P16473 1/20 0.33
PMP22 Q01453 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER2 P43116 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL2663968 0.79 NLRP3 (0.36) NFKB1NFKB2RELATSHR
SCHEMBL2845437 0.73 CYP1A2 (0.42) PTGS1PTGS2NFKB1NFKB2RELA
SCHEMBL6440087 0.71
SCHEMBL2663989 0.70
SCHEMBL6883452 0.68 PTGS1 (0.43) PTGS1PTGS2NFKB1LMNASLC22A6
SCHEMBL14706726 0.67 ALDH1A1 (0.54) ALOX5NFKB1LMNASLC22A6TSHR
SCHEMBL18194627 0.66
SCHEMBL16842693 0.64 TSHR (0.48) ALOX5NFKB1LMNASLC22A6PPARG
SCHEMBL21085092 0.64 ALOX5 (0.42) ALOX5NFKB1LMNASLC22A6TSHR
SCHEMBL15537992 0.64 TSHR (0.48) ALOX5NFKB1LMNASLC22A6PPARG

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-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070099930-A1 Substituted Dihydroisoindolones As Allosteric Modulators of Glucokinase GCK, GCKR, GPR119 PTGS1 2027/4885PTGS2 1413/4885ALOX5 3373/4885

“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.