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Sugi Predict / Compounds / SCHEMBL4187554

SCHEMBL4187554

SCHEMBL4187554

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPK9 P45984 2/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ADRA2A P08913 2/20 0.31
▸ ADRA2B P18089 2/20 0.31
▸ ADRA2C P18825 2/20 0.31
▸ GAA P10253 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 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
SCHEMBL16413942 0.91 ESR1 (0.39) ESR1NPSR1POLBMAPK9HTR1A
SCHEMBL13661764 0.86 ESR1 (0.32) ESR1NPSR1MAPK9HTR1ACYP3A4
SCHEMBL4296354 0.86 ESR1 (0.32) ESR1NPSR1MAPK9HTR1ACYP3A4
SCHEMBL4292914 0.85 ESR1 (0.47) ESR1POLBCYP3A4GAAKDM4E
SCHEMBL4292917 0.82 ESR1 (0.43) ESR1NPSR1POLBMAPK9HTR1A
SCHEMBL16414171 0.79 ESR1 (0.47) ESR1POLBCYP3A4GAAKDM4E
SCHEMBL16413943 0.79 ESR1 (0.37) ESR1NPSR1POLBGAAMAPT
SCHEMBL13663615 0.76 ESR1 (0.65) ESR1MAPK9CYP3A4MAPTALDH1A1
SCHEMBL4026751 0.76 ESR1 (0.65) ESR1MAPK9CYP3A4MAPTALDH1A1
SCHEMBL13661759 0.76 ESR1 (0.65) ESR1MAPK9CYP3A4MAPTALDH1A1

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-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
WO-2009100349-A1 ANALOGUES OF (-)-PICROPODOPHYLLIN, SYNTHESIS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-08-13 — — WO 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 4401/4885NPSR1 3762/4885POLB 832/4885
US-20090271879-A1 ANALOGUES OF (-)-PICROPODOPHYLLIN, SYNTHESIS AND USES THEREOF PPOX, HCCS, DHPS ESR1 4320/4885NPSR1 3959/4885POLB 761/4885

“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.