SCHEMBL3432014

SCHEMBL3432014

COC(=O)/C(C)=C(\C)[C@H](O)CO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
OR51E2 Q9H255 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TET2 Q6N021 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL27533966 0.83 ALDH1A1 (0.33) TGFBR1ALDH1A1
SCHEMBL3430596 0.83 ALDH1A1 (0.36) TGFBR1ALDH1A1MGAMGAASI
SCHEMBL28202294 0.80 ALDH1A1 (0.31) TGFBR1ALDH1A1
SCHEMBL27691668 0.79 GPR84 (0.32) TGFBR1ALDH1A1
SCHEMBL3432059 0.78 TGFBR1 (0.38) TGFBR1ALDH1A1MGAMGAASI
SCHEMBL1470450 0.75 OR51E2 (0.48) OR51E2TET2
SCHEMBL27840950 0.75 ALDH1A1 (0.40) ALDH1A1
Glycerin SCHEMBL28813526 0.74 ALDH1A1 (0.39) TGFBR1ALDH1A1MGAMGAASI
E968 SCHEMBL9436988 0.74 TGFBR1 (0.38) TGFBR1ALDH1A1MGAMGAASI
SCHEMBL2987563 0.74 PDE4A (0.46) TGFBR1

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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP TGFBR1 1461/4885OR51E2 4546/4885ALDH1A1 1706/4885

“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.