Sugi Predict

Sugi Predict / Compounds / SCHEMBL4292914

SCHEMBL4292914

SCHEMBL4292914

CC(=O)OC[C@@H]1[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@H]2O[C@@H]1c1cc3c(cc12)OCO3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.47
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TAS1R3 Q7RTX0 2/20 0.37
▸ TAS1R1 Q7RTX1 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TRIP13 Q15645 1/20 0.35
▸ GLA P06280 1/20 0.34

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
SCHEMBL16414171 0.91 ESR1 (0.47) ESR1CYP3A4CYP2D6THRBCYP2C9
SCHEMBL13661747 0.88 ESR1 (0.57) ESR1CYP3A4CYP2D6THRBCYP2C9
SCHEMBL4201936 0.88 ESR1 (0.57) ESR1CYP3A4CYP2D6THRBCYP2C9
SCHEMBL13663614 0.88 ESR1 (0.57) ESR1CYP3A4CYP2D6THRBCYP2C9
SCHEMBL4187554 0.85 ESR1 (0.41) ESR1CYP3A4HPGDL3MBTL1KDM4E
SCHEMBL16414172 0.83 ESR1 (0.43) ESR1CYP3A4CYP2D6THRBCYP2C9
SCHEMBL13663615 0.83 ESR1 (0.65) ESR1CYP3A4CYP2D6THRBCYP2C9
SCHEMBL13661744 0.83 ESR1 (0.65) ESR1CYP3A4CYP2D6THRBCYP2C9
SCHEMBL4026751 0.83 ESR1 (0.65) ESR1CYP3A4CYP2D6THRBCYP2C9
SCHEMBL13661759 0.83 ESR1 (0.65) ESR1CYP3A4CYP2D6THRBCYP2C9

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-20150031759-A1 Analogues of (-)Picropodophyllin, Synthesis And Uses Thereof UNIVERSITY OF NEBRASKA - LINCOLN 2015-01-29 — — US disclosed
US-8859614-B2 Analogues of (−)-picropodophyllin, synthesis and uses thereof University of Nebraska—Lincoln (US) 2014-10-14 — — US disclosed
US-8859614-B2 Analogues of (−)-picropodophyllin, synthesis and uses thereof University of Nebraska—Lincoln (US) 2014-10-14 — — US disclosed
US-20090271879-A1 ANALOGUES OF (-)-PICROPODOPHYLLIN, SYNTHESIS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2009-10-29 — — US disclosed
US-20090271879-A1 ANALOGUES OF (-)-PICROPODOPHYLLIN, SYNTHESIS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2009-10-29 — — 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-20150031759-A1 Analogues of (-)Picropodophyllin, Synthesis And Uses Thereof PPOX, HCCS, DHPS ESR1 4401/4885CYP3A4 520/4885CYP2D6 326/4885
US-20090271879-A1 ANALOGUES OF (-)-PICROPODOPHYLLIN, SYNTHESIS AND USES THEREOF PPOX, HCCS, DHPS ESR1 4320/4885CYP3A4 566/4885CYP2D6 302/4885

“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.