SCHEMBL13337671

SCHEMBL13337671

COP(=O)(OC)C(c1ccccc1)(c1ccncc1)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.46
ESR2 Q92731 3/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
HDAC6 Q9UBN7 2/20 0.37
HTT P42858 1/20 0.34
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KCNN4 O15554 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KIF11 P52732 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13337674 0.91 KIF11 (0.37) HDAC6HTTJAK2TYK2KCNN4
SCHEMBL13337663 0.91 ESR1 (0.55) ESR1ESR2ALDH1A1CYP3A4KCNN4
SCHEMBL13337670 0.84 ESR1 (0.43) ESR1ESR2ALDH1A1CYP3A4KDM4E
SCHEMBL13337686 0.80 KCNN4 (0.42) ESR1ESR2ALDH1A1HTTKCNN4
SCHEMBL13337695 0.74 HPGD (0.47) ALDH1A1HTTKIF11RAB9AGAA
SCHEMBL13337675 0.72 ESR1 (0.55) ESR1ESR2ALDH1A1CYP3A4CHRM2
SCHEMBL13994648 0.69 ESR1 (0.61) ESR1ESR2ALDH1A1CYP3A4KIF11
SCHEMBL19504134 0.67 ESR2 (0.50) ESR1ESR2CYP3A4RAB9AGAA
SCHEMBL13096636 0.67 ESR2 (0.50) ESR1ESR2CYP3A4RAB9AGAA
SCHEMBL13337662 0.67 CA1 (0.46) ALDH1A1HTTL3MBTL1RAB9AHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709465-B2 Phosphorous containing compounds including triphenylmethylphosphonate esters for the treatment of melanoma and other cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-04 US disclosed
US-7709465-B2 Phosphorous containing compounds including triphenylmethylphosphonate esters for the treatment of melanoma and other cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-05-04 US disclosed
US-20090004293-A1 Phosphorous Containing Compounds Including Triphenylmethylphosphonate Esters for the Treatment of Melanoma and Other Cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-01 US disclosed
US-20090004293-A1 Phosphorous Containing Compounds Including Triphenylmethylphosphonate Esters for the Treatment of Melanoma and Other Cancers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-01-01 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-20090004293-A1 Phosphorous Containing Compounds Including Triphenylmethylphosphonate Esters for the Treatment of Melanoma and Other Cancers PHOSPHO1, MCL1, MTMR1 ESR1 3525/4885ESR2 3584/4885ALDH1A1 3084/4885

“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.