SCHEMBL18232002

SCHEMBL18232002

CCC(C)CC(C)C(=O)NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
FAAH O00519 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
EPHX1 P07099 2/20 0.33
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
MMP3 P08254 1/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL13876693 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AFAAHMAPK1
SCHEMBL10031629 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AFAAHMAPK1
SCHEMBL115663 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AFAAHMAPK1
SCHEMBL27285612 0.81 TSHR (0.40) ALDH1A1MEN1KMT2AFAAHMAPK1
SCHEMBL15698018 0.81 USP2 (0.40) ALDH1A1MEN1KMT2AFAAHMAPK1
SCHEMBL8246851 0.80 USP2 (0.33) MMP1MMP2MMP3TSHRUSP2
SCHEMBL10213728 0.79 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AFAAHMAPK1
SCHEMBL19129980 0.79 USP2 (0.39) ALDH1A1MEN1KMT2AFAAHMAPK1
SCHEMBL16884412 0.79 USP2 (0.39) ALDH1A1MEN1KMT2AFAAHMAPK1
SCHEMBL14552038 0.78 SLC1A3 (0.47) ALDH1A1MEN1KMT2AMAPK1LMNA

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-20160333050-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2016-11-17 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-20160333050-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 ALDH1A1 4550/4885MEN1 3257/4885KMT2A 3705/4885

“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.