Sugi Predict

Sugi Predict / Compounds / SCHEMBL4292917

SCHEMBL4292917

SCHEMBL4292917

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.43
▸ MAPK9 P45984 2/20 0.40
▸ ADRA2A P08913 2/20 0.39
▸ ADRA2B P18089 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ GLA P06280 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36

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
SCHEMBL13661748 0.88 MAPK9 (0.45) ESR1MAPK9ADRA2AADRA2BADRA2C
SCHEMBL13661744 0.84 ESR1 (0.65) ESR1MAPK9ALDH1A1CYP2C19CYP3A4
SCHEMBL13663615 0.84 ESR1 (0.65) ESR1MAPK9ALDH1A1CYP2C19CYP3A4
SCHEMBL4026751 0.84 ESR1 (0.65) ESR1MAPK9ALDH1A1CYP2C19CYP3A4
SCHEMBL13661759 0.84 ESR1 (0.65) ESR1MAPK9ALDH1A1CYP2C19CYP3A4
SCHEMBL4187554 0.82 ESR1 (0.41) ESR1MAPK9ADRA2AADRA2BADRA2C
SCHEMBL16413942 0.79 ESR1 (0.39) ESR1MAPK9ALDH1A1CYP2C19CYP3A4
SCHEMBL13663671 0.77 ALDH1A1 (0.40) MAPK9ALDH1A1CYP2C19CYP3A4HTR1A
SCHEMBL16418580 0.76 MAPK9 (0.37) ESR1MAPK9ALDH1A1CYP3A4HTR1A
SCHEMBL13661747 0.75 ESR1 (0.57) ESR1MAPK9ALDH1A1CYP2C19CYP3A4

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-20150031759-A1 Analogues of (-)Picropodophyllin, Synthesis And Uses Thereof UNIVERSITY OF NEBRASKA - LINCOLN 2015-01-29 — — US disclosed
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-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 4401/4885MAPK9 4575/4885ADRA2A 2593/4885
US-20090271879-A1 ANALOGUES OF (-)-PICROPODOPHYLLIN, SYNTHESIS AND USES THEREOF PPOX, HCCS, DHPS ESR1 4320/4885MAPK9 4533/4885ADRA2A 2599/4885

“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.