SCHEMBL4406432

SCHEMBL4406432

CCC1CCC1(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
FFAR3 O14843 1/20 0.33
CYP2C19 P33261 2/20 0.31
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL30546542 0.88 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28472473 0.85 CYP2C19 (0.41) ALDH1A1FFAR3CYP2C19THPOLMNA
SCHEMBL7896231 0.82 CYP1A2 (0.33)
SCHEMBL6009787 0.78 ALOX5 (0.40) ALDH1A1
SCHEMBL1536298 0.76 GRM2 (0.35) FFAR3
SCHEMBL4579579 0.76 ALDH1A1 (0.40) ALDH1A1FFAR3CYP2C19MAPK1TP53
SCHEMBL1001103 0.74 ALDH1A1 (0.35) ALDH1A1FFAR3
SCHEMBL1515659 0.74 GRM8 (0.44)
SCHEMBL12988135 0.74 ALDH1A1 (0.35) ALDH1A1FFAR3
SCHEMBL28317712 0.72 ARG1 (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515943-B Oxadiazole derivatives 住友制药株式会社 2024-07-09 CN disclosed
US-20120244122-A1 Peptides for the Treatment of HCV Infections CONCERT PHARMACEUTICALS, INC. 2012-09-27 US disclosed
US-20090175824-A1 Peptides for the treatment of HCV infections CONCERT PHARMACEUTICALS, INC. 2009-07-09 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-20090175824-A1 Peptides for the treatment of HCV infections DPP4, ZC3HAV1, CTSC ALDH1A1 4360/4885FFAR3 3174/4885CYP2C19 2264/4885
US-20120244122-A1 Peptides for the Treatment of HCV Infections HAVCR2, VIP, PEPD ALDH1A1 4573/4885FFAR3 1237/4885CYP2C19 2851/4885

“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.