SCHEMBL22360655

SCHEMBL22360655

BC(=O)CC(=O)C(C)(CCCCC)CCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
FAAH O00519 7/20 0.38
CES1 P23141 5/20 0.38
GGPS1 O95749 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FDPS P14324 3/20 0.37

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
SCHEMBL22360687 0.98 CES2 (0.39) CES2LPAR1LPAR3FAAHCES1
SCHEMBL22360617 0.84 ALDH1A1 (0.36) MEN1KMT2AHSD17B10
SCHEMBL8040934 0.80 CES2 (0.39) CES2FAAHCES1GGPS1MEN1
SCHEMBL19133167 0.79 CES2 (0.45) CES2FAAHCES1GGPS1MEN1
SCHEMBL19546267 0.79 GPR84 (0.42) CES2MEN1KMT2AHSD17B10
SCHEMBL19226597 0.78 NAAA (0.44) CES2FAAHCES1MEN1CYP1A2
SCHEMBL23987271 0.78 CES2 (0.44) CES2FAAHCES1GGPS1MEN1
SCHEMBL23987260 0.78 CES2 (0.44) CES2FAAHCES1GGPS1MEN1
SCHEMBL24599562 0.76 SMPD1 (0.47) CES2FAAHCES1GGPS1MEN1
SCHEMBL23987201 0.76 SMPD1 (0.47) CES2FAAHCES1GGPS1MEN1

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-20200261455-A1 INHIBITORS OF MUTANT FAMILY TYROSINE-KINASES SPECTRUM PHARMACEUTICALS, INC. 2020-08-20 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-20200261455-A1 INHIBITORS OF MUTANT FAMILY TYROSINE-KINASES ERBB2, EGFR, ERBB3 CES2 3793/4885LPAR1 3218/4885LPAR3 2681/4885

“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.