SCHEMBL23950214

SCHEMBL23950214

CCCCCCCCCCCCCCCCCCCCCC(=O)C(C)CCC

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.57
MEN1 O00255 1/20 0.53
FAAH O00519 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
FFAR4 Q5NUL3 1/20 0.52
FFAR1 O14842 1/20 0.52
CES1 P23141 3/20 0.50
LMNA P02545 1/20 0.48

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
SCHEMBL23950590 1.00 CES2 (0.57) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL21448670 1.00 CES2 (0.57) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL21452468 1.00 CES2 (0.57) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL3414312 0.98 CES2 (0.54) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL15342883 0.93 CES2 (0.46) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL10904395 0.91 CA1 (0.57) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL11115354 0.91 CA1 (0.57) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL10904396 0.91 CA1 (0.57) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL31472637 0.91 CES2 (0.57) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL28441934 0.91 CES2 (0.57) 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.