SCHEMBL4193348

SCHEMBL4193348

COC(OC)c1cc2c(cc1CO)OCO2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SMAD3 P84022 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P4HB P07237 1/20 0.35

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
SCHEMBL9860607 0.76 ALDH1A1 (0.47) CYP3A4CYP2D6CYP1A2CYP2C9ALOX15
SCHEMBL1153101 0.72 PDE4A (0.35)
SCHEMBL11698952 0.71 SHBG (0.39) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL28727085 0.71 KMT2A (0.41) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL9860501 0.69 CYP3A4 (0.58) CYP3A4CYP2D6CYP1A2CYP2C9ALOX15
SCHEMBL352250 0.68 CYP3A4 (0.53) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL1154551 0.68 MAPT (0.41) CYP3A4CYP2D6CYP1A2CYP2C9ALOX15
SCHEMBL7284764 0.68 KDM4E (0.43) CYP2C9HSD17B10
SCHEMBL9151513 0.68 CYP3A4 (0.37) CYP3A4CYP2D6CYP1A2CYP2C9ALOX15
SCHEMBL9860674 0.67 P4HB (0.52) CYP3A4CYP2D6CYP1A2CYP2C9ALOX15

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 11 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-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
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
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 CYP3A4 520/4885CYP2D6 326/4885CYP1A2 264/4885
US-20090271879-A1 ANALOGUES OF (-)-PICROPODOPHYLLIN, SYNTHESIS AND USES THEREOF PPOX, HCCS, DHPS CYP3A4 566/4885CYP2D6 302/4885CYP1A2 248/4885

“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.