SCHEMBL14064546

SCHEMBL14064546

COC1CC(C)(OC)OCC1OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ BCHE P06276 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ KMT2A Q03164 1/20 0.42
▸ ABCB1 P08183 2/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39

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
SCHEMBL30091030 0.79 BCHE (0.52) BCHETSHRCHRM2CHRM4CHRM1
SCHEMBL26832198 0.76 ABCB1 (0.45) GAABCHETSHRABCB1
SCHEMBL28262599 0.73 BCHE (0.55) GAABCHEKMT2ACHRM2CHRM4
SCHEMBL26833384 0.73 BCHE (0.42) GAABCHETSHRABCB1
SCHEMBL8183692 0.72 GAA (0.58) GAABCHETSHRKMT2AABCB1
SCHEMBL26830869 0.72 ABCB1 (0.48) GAABCHEABCB1
SCHEMBL19320699 0.72 BCHE (0.46) GAABCHETSHRKMT2ACHRM2
SCHEMBL26290154 0.70 ABCB1 (0.46) GAABCHETSHRABCB1
SCHEMBL30629201 0.70 BCHE (0.49) GAABCHEKMT2ACHRM2CHRM4
SCHEMBL5487793 0.69 ABCB1 (0.44) BCHEABCB1

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
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
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 GAA 2007/4885BCHE 902/4885TSHR 4205/4885

“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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