SCHEMBL6822731

SCHEMBL6822731

O=C1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
RECQL P46063 3/20 0.57
PTGS1 P23219 3/20 0.49
PTGS2 P35354 3/20 0.49
CYP19A1 P11511 3/20 0.49
TYR P14679 1/20 0.49
CYP3A4 P08684 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SYNJ2 O15056 1/20 0.42
BCL2 P10415 1/20 0.40
HSD17B10 Q99714 3/20 0.38
CA12 O43570 2/20 0.38
AMY1A P0DUB6 2/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
ALOX12 P18054 1/20 0.38
SLCO2B1 O94956 1/20 0.38
TTR P02766 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL677662 1.00 TDP1 (0.57) TDP1RECQLPTGS1PTGS2CYP19A1
SCHEMBL28035038 0.87 RECQL (0.49) TDP1RECQLPTGS1PTGS2CYP19A1
SCHEMBL349722 0.84 CYP3A4 (0.52) TDP1RECQLPTGS1PTGS2CYP19A1
SCHEMBL28030289 0.84 TDP1 (0.55) TDP1RECQLPTGS1PTGS2CYP19A1
SCHEMBL3487578 0.84 CYP3A4 (0.52) TDP1RECQLPTGS1PTGS2CYP19A1
SCHEMBL7809366 0.83 CYP19A1 (0.45) TDP1RECQLPTGS1PTGS2CYP19A1
SCHEMBL29282180 0.83 CYP19A1 (0.45) TDP1RECQLPTGS1PTGS2CYP19A1
SCHEMBL28888148 0.83 BCL2 (0.42) TDP1RECQLPTGS1PTGS2CYP19A1
SCHEMBL27796498 0.83 BCL2 (0.42) TDP1RECQLPTGS1PTGS2CYP19A1
SCHEMBL28616927 0.81 RECQL (0.44) TDP1RECQLPTGS1PTGS2CYP19A1

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-6737439-B2 ACTIVE CANCER CHEMOPREVENTATIVE AND TREATING AGENTS IN MAMMALS, INCLUDING HUMANS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2004-05-18 US claimed
US-20030125377-A1 Aromatase inhibitors from Broussonetia papyrifera BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS THE 2003-07-03 US claimed
US-6737439-B2 ACTIVE CANCER CHEMOPREVENTATIVE AND TREATING AGENTS IN MAMMALS, INCLUDING HUMANS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2004-05-18 US disclosed
US-20030125377-A1 Aromatase inhibitors from Broussonetia papyrifera BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS THE 2003-07-03 US disclosed
WO-2003013554-A2 AROMATASE INHIBITORS FROM BROUSSONETIA PAPYRIFERA THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2003-02-20 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 (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-20030125377-A1 Aromatase inhibitors from Broussonetia papyrifera CYP19A1, HSD17B11, CYP17A1 TDP1 659/4885RECQL 1275/4885PTGS1 35/4885

“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.