SCHEMBL13496555

SCHEMBL13496555

C=C(C)C[C@H](OC)[C@H]1COC(C)(C)O1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 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
SCHEMBL14072306 1.00 CA2 (0.30) CA2
SCHEMBL11114168 0.81 CA2 (0.33) CA2
SCHEMBL28595771 0.81 CA2 (0.33) CA2
SCHEMBL14072280 0.78 — —
SCHEMBL14627155 0.78 — —
SCHEMBL10918019 0.78 CA2 (0.33) CA2
SCHEMBL14064541 0.78 — —
SCHEMBL14072307 0.78 — —
SCHEMBL15445567 0.70 CA2 (0.32) CA2
SCHEMBL24543316 0.70 CA2 (0.33) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022148-A1 METHODS FOR THE PREPARATION OF IRCINIASTATIN AND ANALOGS THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-02-25 — — WO disclosed
US-7429616-B2 Synthesis and complete stereochemical assignment of psymberin/irciniastatin for use as antitumor compounds BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2008-09-30 — — US disclosed
WO-2007011629-A2 SYNTHESIS AND COMPLETE STEREOCHEMICAL ASSIGNMENT OF PSYMBERIN/IRCINIASTATIN FOR ANTI-TUMOR USE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2007-01-25 — — WO disclosed
US-20070015821-A1 Synthesis and complete stereochemical assignment of psymberin/irciniastatin for use as antitumor compounds BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2007-01-18 — — US disclosed
US-20070015821-A1 Synthesis and complete stereochemical assignment of psymberin/irciniastatin for use as antitumor compounds BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2007-01-18 — — 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-20070015821-A1 Synthesis and complete stereochemical assignment of psymberin/irciniastatin for use as antitumor compounds HCCS, RPS24, RPS27 CA2 4689/4885

“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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