SCHEMBL6810293

SCHEMBL6810293

C=C/C=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)CO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.33
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 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
SCHEMBL13378245 0.91 APLNR (0.33) APLNRIDO1AGXT
SCHEMBL13378221 0.91 APLNR (0.33) APLNRIDO1AGXT
SCHEMBL14253541 0.89
SCHEMBL14533017 0.89 IDO1 (0.33) APLNRIDO1AGXTALDH1A1CYP3A4
SCHEMBL7526812 0.88 APLNR (0.35) APLNRIDO1AGXT
SCHEMBL5814009 0.87 APLNR (0.35) APLNRIDO1AGXTALDH1A1CYP3A4
SCHEMBL5813999 0.87 APLNR (0.35) APLNRIDO1AGXTALDH1A1CYP3A4
SCHEMBL14253511 0.85
SCHEMBL5819466 0.85 SMN1; SMN2 (0.38) IDO1AGXTALDH1A1CYP3A4CYP2C19
SCHEMBL5819472 0.85 SMN1; SMN2 (0.38) IDO1AGXTALDH1A1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700783-B2 Synthesis of discodermolide and variants thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-04-20 US disclosed
US-20070276144-A1 Synthesis Of Discodermolide And Variants Thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-29 US disclosed
US-20040018598-A1 Bio-intermediates for use in the chemical synthesis of polyketides SANTI DANIEL (US) 2004-01-29 US disclosed
US-20020052028-A1 Bio-intermediates for use in the chemical synthesis of polyketides KOSAN BIOSCIENCES, INC. 2002-05-02 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 (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-20070276144-A1 Synthesis Of Discodermolide And Variants Thereof EML4, CYP17A1, CYP21A2 APLNR 3047/4885IDO1 4182/4885AGXT 1059/4885
US-20040018598-A1 Bio-intermediates for use in the chemical synthesis of polyketides DHPS, FDFT1, COASY APLNR 2576/4885IDO1 3441/4885AGXT 993/4885

“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.