SCHEMBL27334341

SCHEMBL27334341

CC(C)(CCCCC(=O)O)OCN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
BLM P54132 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
THRB P10828 2/20 0.43
MEN1 O00255 2/20 0.43
ALOX15 P16050 2/20 0.43
PLG P00747 1/20 0.43
SLC6A2 P23975 1/20 0.43
RECQL P46063 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TSHR P16473 6/20 0.41
HDAC11 Q96DB2 6/20 0.41
GABRR3 A8MPY1 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL21989009 0.86 ALDH1A1 (0.41) NFKB1CYP2D6LMNAALDH1A1KMT2A
SCHEMBL157395 0.78 ALDH1A1 (0.48) NFKB1LMNAALDH1A1KMT2AMEN1
SCHEMBL986920 0.76 ALDH1A1 (0.52) NFKB1LMNAALDH1A1KMT2AMEN1
SCHEMBL21560981 0.74 LMNA (0.44) NFKB1LMNAALDH1A1KMT2AMEN1
SCHEMBL19333419 0.73 TSHR (0.46) NFKB1LMNAALDH1A1KMT2AMEN1
SCHEMBL13531550 0.73 ABCC4 (0.40) NFKB1CYP2D6LMNAALDH1A1KMT2A
SCHEMBL348477 0.73 LMNA (0.52) NFKB1CYP2D6LMNAALDH1A1KMT2A
SCHEMBL29065914 0.72 TDP1 (0.54) NFKB1CYP2D6LMNAALDH1A1KMT2A
SCHEMBL1908887 0.72 LMNA (0.58) NFKB1LMNAALDH1A1KMT2AMEN1
SCHEMBL22389094 0.72 TSHR (0.32) THRBTSHR

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-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2024-06-27 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-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, FURIN NFKB1 2469/4885CYP2D6 1858/4885LMNA 2754/4885

“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.