SCHEMBL20848102

SCHEMBL20848102

CCC(C)C(=O)CCCCCCCCCCCCCCC(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
MEN1 O00255 1/20 0.41
FAAH O00519 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.38
LMNA P02545 2/20 0.36

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
SCHEMBL20838327 0.86 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL21318254 0.86 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL21448711 0.86 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL18597115 0.86 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL28292434 0.86 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL16431121 0.86 CES2 (0.59) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL18751717 0.85 CES2 (0.48) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL9973396 0.85 CES2 (0.48) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL9973392 0.85 CES2 (0.48) CES2MEN1FAAHMAPK1KMT2A
SCHEMBL26203820 0.85 CES2 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800827-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-10-13 US disclosed
US-20190092833-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-03-28 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 (2 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-10800827-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 CES2 2734/4885MEN1 2494/4885FAAH 2626/4885
US-20190092833-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CES2 2734/4885MEN1 2494/4885FAAH 2626/4885

“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.