SCHEMBL17880451

SCHEMBL17880451

C=CCC[C@H](C)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
RECQL P46063 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL3107973 1.00 ALDH1A1 (0.41) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL3123664 0.88 ALDH1A1 (0.47) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL31357040 0.85 ALDH1A1 (0.53) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL3122051 0.85 ALDH1A1 (0.53) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL12549518 0.85 ALDH1A1 (0.53) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL11520943 0.82 TSHR (0.39) ALDH1A1LMNATSHRTDP1SMN1; SMN2
SCHEMBL15712645 0.82 TSHR (0.39) ALDH1A1LMNATSHRTDP1SMN1; SMN2
SCHEMBL10392606 0.81 TSHR (0.38) ALDH1A1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL11336105 0.80 KMT2A (0.41) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL7105090 0.79 SMN1; SMN2 (0.46) ALDH1A1TSHRKMT2ASMN1; SMN2CA1

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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX ALDH1A1 4444/4885LMNA 4645/4885TSHR 2378/4885

“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.