SCHEMBL3430596

SCHEMBL3430596

CC[C@@H](O)/C(C)=C(\C)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TGFBR1 P36897 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
SCHEMBL3432014 0.83 TGFBR1 (0.38) ALDH1A1MGAMGAASIMGAM2
SCHEMBL27533966 0.79 ALDH1A1 (0.33) ALDH1A1TGFBR1
SCHEMBL3430617 0.78 ALDH1A1 (0.36) ALDH1A1CA1CA2MGAMGAA
SCHEMBL446082 0.77 ALDH1A1 (0.34) ALDH1A1CA1CA2MGAMGAA
Ammonia Solution, Strong SCHEMBL27426631 0.77 ALDH1A1 (0.34) ALDH1A1CA1CA2MGAMGAA
SCHEMBL1786823 0.77 TSHR (0.33) ALDH1A1TSHR
SCHEMBL1786824 0.77 TSHR (0.33) ALDH1A1TSHR
SCHEMBL8011252 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28202294 0.76 ALDH1A1 (0.31) ALDH1A1TGFBR1
SCHEMBL27691668 0.75 GPR84 (0.32) ALDH1A1TGFBR1

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 ALDH1A1 1706/4885TSHR 4451/4885CA1 3341/4885

“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.