SCHEMBL4319619

SCHEMBL4319619

C=C[CH]C(=O)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
TRPA1 O75762 1/20 0.50
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
AKR1B1 P15121 1/20 0.46
TSHR P16473 5/20 0.46
HSP90AA1 P07900 1/20 0.45
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
HDAC11 Q96DB2 5/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
PTPN1 P18031 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL542361 0.98 FAAH (0.53) FAAHTRPA1CES2CES1TSHR
SCHEMBL19031694 0.98 FAAH (0.53) FAAHTRPA1CES2CES1TSHR
SCHEMBL1983609 0.88 TSHR (0.42) FAAHTRPA1TSHRALDH1A1
SCHEMBL7110229 0.81
SCHEMBL84084 0.81
Hydrogen Sulfide SCHEMBL23406476 0.79 TRPA1 (0.52) FAAHTRPA1CES2CES1AKR1B1
SCHEMBL812162 0.79 FAAH (0.57) FAAHTRPA1CES2CES1TSHR
SCHEMBL8758532 0.79 FAAH (0.57) FAAHTRPA1CES2CES1TSHR
SCHEMBL21423341 0.79 FAAH (0.57) FAAHTRPA1CES2CES1TSHR
SCHEMBL872361 0.79 FAAH (0.57) FAAHTRPA1CES2CES1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP claimed
US-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes VAN POELJE PAUL D 2009-08-06 US claimed

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-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes FBP1, ALDOA, G6PC1 FAAH 2637/4885TRPA1 4873/4885CES2 2983/4885

“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.