SCHEMBL571136

SCHEMBL571136

Cc1c(O)c(C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 1.00
ESR2 Q92731 3/20 1.00
ALDH1A1 P00352 4/20 0.68
MAPT P10636 5/20 0.55
PTPN1 P18031 4/20 0.55
MAPK1 P28482 3/20 0.55
XDH P47989 2/20 0.54
PFKFB3 Q16875 1/20 0.54
ALOX15 P16050 4/20 0.50
TP53 P04637 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
POLB P06746 3/20 0.50
NPC1 O15118 3/20 0.50
HPGD P15428 3/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 3/20 0.50
CYP3A4 P08684 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50

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
SCHEMBL15853599 0.81 ALDH1A1 (1.00) ESR1ESR2ALDH1A1MAPTPTPN1
SCHEMBL26071480 0.78 ALDH1A1 (0.66) ESR1ESR2ALDH1A1MAPTPTPN1
SCHEMBL18326518 0.77 EGFR (0.70) ESR1ESR2ALDH1A1MAPTPTPN1
SCHEMBL17718213 0.77 EGFR (0.63) ESR1ESR2ALDH1A1MAPTPTPN1
SCHEMBL11051124 0.77 ALDH1A1 (0.68) ESR1ESR2ALDH1A1MAPTPTPN1
SCHEMBL28347244 0.76 EGFR (0.62) ESR1ESR2ALDH1A1MAPTPTPN1
SCHEMBL30319762 0.75 ESR1 (0.59) ESR1ESR2ALDH1A1MAPTMAPK1
SCHEMBL572094 0.75 ALDH1A1 (0.74) ESR1ESR2ALDH1A1MAPTPTPN1
SCHEMBL6183311 0.74 EGFR (0.67) ESR1ESR2ALDH1A1MAPTPTPN1
SCHEMBL664200 0.74 ESR1 (0.59) ESR1ESR2ALDH1A1MAPTMAPK1

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-20140234271-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2014-08-21 US disclosed
US-8748177-B2 Compositions for proliferation of cells and related methods THE HOSPITAL FOR SICK CHILDREN (CA) 2014-06-10 US disclosed
EP-2598150-A2 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS The Hospital For Sick Children (CA) 2013-06-05 EP disclosed
WO-2012018643-A2 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2012-02-09 WO disclosed
US-20110301105-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2011-12-08 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-20140234271-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS MKI67, KRT18, PROX1 ESR1 3586/4885ESR2 3199/4885ALDH1A1 1070/4885
US-20110301105-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS MKI67, KRT18, PROX1 ESR1 3586/4885ESR2 3199/4885ALDH1A1 1070/4885

“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.