SCHEMBL23950236

SCHEMBL23950236

CCCCCCCCCCCCCCCCCCCCCCC(=O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.64
MEN1 O00255 1/20 0.59
FAAH O00519 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
CES1 P23141 3/20 0.56
GPR84 Q9NQS5 2/20 0.54
PPARG P37231 2/20 0.54
PPARD Q03181 2/20 0.54
PPARA Q07869 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
TLR2 O60603 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL5181793 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL8773299 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL19103607 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL14477972 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL21448801 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL23950131 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL23950441 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL23950237 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL827134 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL11162297 1.00 CES2 (0.64) CES2MEN1FAAHMAPK1KMT2A

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-20210323992-A1 GEMCITABINE PRODRUGS CURE BIOPHARMA INC. 2021-10-21 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-20210323992-A1 GEMCITABINE PRODRUGS TYMP, PIK3CA, DCK CES2 2830/4885MEN1 2740/4885FAAH 3969/4885

“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.