SCHEMBL3432059

SCHEMBL3432059

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.38
ALDH1A1 P00352 3/20 0.36
THRB P10828 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
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
SCHEMBL3430617 0.87 ALDH1A1 (0.36) TGFBR1ALDH1A1HSD17B10KMT2AMGAM
Ammonia Solution, Strong SCHEMBL27426631 0.85 ALDH1A1 (0.34) ALDH1A1HSD17B10MGAMGAASI
SCHEMBL3432014 0.78 TGFBR1 (0.38) TGFBR1ALDH1A1MGAMGAASI
SCHEMBL18177629 0.77 ALDH1A1 (0.42) TGFBR1ALDH1A1TSHRMGAMGAA
SCHEMBL18177632 0.77 ALDH1A1 (0.42) TGFBR1ALDH1A1TSHRMGAMGAA
SCHEMBL1471267 0.75 TSHR (0.32) ALDH1A1THRBTSHR
SCHEMBL27840950 0.75 ALDH1A1 (0.40) ALDH1A1MEN1TSHRKMT2A
SCHEMBL3430596 0.74 ALDH1A1 (0.36) TGFBR1ALDH1A1TSHRMGAMGAA
SCHEMBL4986801 0.73 ALDH1A1 (0.39) ALDH1A1
SCHEMBL41033 0.73 ALDH1A1 (0.39) ALDH1A1

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 1461/4885ALDH1A1 1706/4885THRB 1304/4885

“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.