SCHEMBL5814009

SCHEMBL5814009

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)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.35
FFAR1 O14842 2/20 0.34
LDHA P00338 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 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
SCHEMBL5813999 1.00 APLNR (0.35) APLNRFFAR1LDHAATMALDH1A1
SCHEMBL7526812 0.88 APLNR (0.35) APLNRFFAR1NPC1RAB9AIDO1
SCHEMBL6810293 0.87 APLNR (0.33) APLNRALDH1A1CYP3A4CYP2D6MAPT
SCHEMBL13378245 0.86 APLNR (0.33) APLNRIDO1AGXT
SCHEMBL13378221 0.85 APLNR (0.33) APLNRIDO1AGXT
SCHEMBL5813898 0.84 TBXAS1 (0.32) POLB
SCHEMBL5815926 0.82 IL6ST (0.34) KMT2APPARA
SCHEMBL5815930 0.82 IL6ST (0.34) KMT2APPARA
SCHEMBL14253511 0.80
SCHEMBL1751323 0.79 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2D6MAPTCYP2C19

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 APLNR 2647/4885FFAR1 555/4885LDHA 147/4885
US-20050080080-A1 Certain substituted polyketides, pharmaceutical compositions containing them and their use in treating tumors PBK, HCCS, BCKDK APLNR 2030/4885FFAR1 1963/4885LDHA 288/4885

“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.