SCHEMBL24178479

SCHEMBL24178479

C=C(C)C(=O)N(CCCCOCCCCN(Cc1ccccc1)C(=O)CC)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
REN P00797 2/20 0.45
OPRM1 P35372 1/20 0.45
CNR2 P34972 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL9906090 0.93 MEN1 (0.46) ALDH1A1RENMEN1KMT2ALMNA
SCHEMBL22542298 0.89 ALDH1A1 (0.50) ALDH1A1RENOPRM1CNR2MEN1
SCHEMBL19414268 0.86 FOLH1 (0.41) ALDH1A1RENMEN1KMT2ALMNA
SCHEMBL23348164 0.85 MEN1 (0.39) ALDH1A1RENMEN1KMT2ALMNA
SCHEMBL31518844 0.82 CNR2 (0.54) RENCNR2LMNALTB4R2
SCHEMBL20275387 0.81 CNR2 (0.56) RENCNR2LMNA
SCHEMBL25287086 0.81 CNR2 (0.56) RENCNR2LMNA
SCHEMBL21734170 0.81 CNR2 (0.56) RENCNR2LMNA
SCHEMBL9906101 0.81 CNR2 (0.56) RENCNR2LMNA
SCHEMBL28301405 0.81 HDAC6 (0.54) RENCNR2LMNALTB4R2

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-20220000721-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DENTSPLY SIRONA INC. (US) 2022-01-06 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-20220000721-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS DUOX2, DUOX1, QSOX1 ALDH1A1 541/4885REN 4628/4885OPRM1 712/4885

“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.