SCHEMBL20016062

SCHEMBL20016062

CCC(CC)CCOCC(=O)N[C@H]1CC[C@H](Oc2cccc3nc(C)c(C(=O)O)c(N)c23)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.39
▸ LDHA P00338 1/20 0.38
▸ TNKS O95271 4/20 0.33
▸ PARP2 Q9UGN5 3/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 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
SCHEMBL17878862 0.93 SMYD3 (0.41) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17879069 0.92 SMYD3 (0.40) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17878864 0.91 LDHA (0.43) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17740891 0.91 SMYD3 (0.42) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17878892 0.90 SMYD3 (0.41) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17730317 0.90 SMYD3 (0.44) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17878876 0.90 SMYD3 (0.42) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17878882 0.89 SMYD3 (0.43) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17878890 0.88 SMYD3 (0.40) SMYD3LDHATNKSPARP2PARP1
SCHEMBL17740900 0.88 SMYD3 (0.42) SMYD3LDHATNKSPARP2PARP1

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-20180086751-A1 SWEETENER COMPOSITION SENOMYX, INC. 2018-03-29 — — 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-20180086751-A1 SWEETENER COMPOSITION TAS2R50, TAS1R2, TAS2R10 SMYD3 297/4885LDHA 1679/4885TNKS 4424/4885

“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.

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