SCHEMBL5815930

SCHEMBL5815930

C=CC=C[C@H](C)[C@H](OCc1ccc(OC)cc1)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 1/20 0.34
CACNA1G O43497 1/20 0.33
PPARA Q07869 1/20 0.32
THRB P10828 1/20 0.32
FAAH O00519 1/20 0.31
ELANE P08246 1/20 0.30
KMT2A Q03164 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL5815926 1.00 IL6ST (0.34) IL6STCACNA1GPPARATHRBFAAH
SCHEMBL5818303 0.88 IL6ST (0.38) IL6STCACNA1GPPARAFAAHKMT2A
SCHEMBL5818309 0.88 IL6ST (0.38) IL6STCACNA1GPPARAFAAHKMT2A
SCHEMBL12212752 0.85 CACNA1G (0.34) IL6STCACNA1GPPARATHRBFAAH
SCHEMBL4843154 0.83 IL6ST (0.35) IL6STCACNA1GPPARATHRBFAAH
SCHEMBL4843167 0.83 IL6ST (0.35) IL6STCACNA1GPPARATHRBFAAH
SCHEMBL5813999 0.82 APLNR (0.35) PPARAKMT2A
SCHEMBL5814009 0.82 APLNR (0.35) PPARAKMT2A
SCHEMBL12212753 0.80 IL6ST (0.35) IL6STCACNA1GPPARATHRBFAAH
SCHEMBL12212754 0.79 IL6ST (0.39) IL6STPPARAFAAHELANECSNK2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148218-B2 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors NOVARTIS AG (CH) 2006-12-12 US disclosed
EP-1312608-B1 Discodermolide analogues and their pharmaceutical use NOVARTIS AG (CH) 2006-08-02 EP disclosed
US-20050080080-A1 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors KINDER FREDERICK R (US) 2005-04-14 US disclosed
US-6833367-B2 A polyhydroxy-polymethyl-8-tridecenoic acid 8-lactone compounds, as antitumor agents, anticarcinogenic agents NOVARTIS AC (CH) 2004-12-21 US disclosed
US-20030153601-A1 Certain substituted polyketides, pharmac eutical compositions containing them and their use in treating tumors NOVARTIS AG (CH) 2003-08-14 US disclosed
EP-1312608-A2 Discodermolide analogues and their pharmaceutical use Novartis AG (CH) 2003-05-21 EP 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 (2 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-20030153601-A1 Certain substituted polyketides, pharmac eutical compositions containing them and their use in treating tumors PBK, BCKDK, ETV6 IL6ST 1570/4885CACNA1G 4227/4885PPARA 1242/4885
US-20050080080-A1 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors PBK, HCCS, BCKDK IL6ST 2521/4885CACNA1G 4781/4885PPARA 1116/4885

“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.