SCHEMBL16016803

SCHEMBL16016803

CCCCN(CC(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
FAAH O00519 8/20 0.32
CES1 P23141 6/20 0.31
CES2 O00748 3/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16016797 0.88 CA12 (0.32) CA12CA1CA9KMT2A
SCHEMBL13992419 0.82
SCHEMBL16016666 0.81 CHRM2 (0.34)
SCHEMBL13166778 0.80 KMT2A (0.32) KMT2A
SCHEMBL13992424 0.79 CHRM2 (0.38) MEN1KMT2AALDH1A1
SCHEMBL16016796 0.79 CHRM2 (0.38) MEN1KMT2AALDH1A1
SCHEMBL16016668 0.79
SCHEMBL13992418 0.78
SCHEMBL7961592 0.76 ALDH1A1 (0.35) CA12CA1CA9MMP1MMP2
SCHEMBL19487618 0.76

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-20140256639-A1 PEPTOID NEUTRALIZING AGENTS UNIV CALIFORNIA (US) 2014-09-11 US disclosed
US-20140256638-A1 PEPTOID NEUTRALIZING AGENTS UNIV CALIFORNIA (US) 2014-09-11 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-20140256638-A1 PEPTOID NEUTRALIZING AGENTS SERPINC1, ANTXR2, VIP CA12 227/4885CA1 300/4885CA9 1940/4885
US-20140256639-A1 PEPTOID NEUTRALIZING AGENTS SERPINC1, ANTXR2, VIP CA12 227/4885CA1 300/4885CA9 1940/4885

“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.