SCHEMBL644451

SCHEMBL644451

COc1ccc(OC)c2c1cc(C(=O)O)n2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 6/20 0.55
HPGD P15428 5/20 0.55
HSD17B10 Q99714 5/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP19A1 P11511 2/20 0.43
NQO2 P16083 2/20 0.43
SRD5A1 P18405 1/20 0.42
SRD5A2 P31213 1/20 0.42

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
SCHEMBL26581211 0.89 HPGD (0.51) KMT2AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL2326863 0.78 CCR2 (0.55) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3747639 0.78 KDM4E (0.60) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL645633 0.77 KMT2A (0.55) KMT2AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL26580392 0.75 KDM4E (0.61) KMT2AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL26581395 0.75 KMT2A (0.43) KMT2AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL19332265 0.75 KDM4E (0.51) KMT2AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL30339456 0.75 KDM4E (0.51) KMT2AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL23809499 0.75 KDM4E (0.47) KMT2AKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL23800686 0.74 KMT2A (0.45) KMT2AKDM4EHPGDHSD17B10ALDH1A1

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-20120108630-A1 Hedgehog Pathway Antagonists and Methods of Use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-05-03 US disclosed
US-8119640-B2 Hedgehog pathway antagonists methods of use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-02-21 US disclosed
US-20110015201-A1 HEDGEHOG PATHWAY ANTAGONISTS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-20 US disclosed
EP-2249818-A1 HEDGEHOG PATHWAY ANTAGONISTS AND METHODS OF USE Stanford University (US) 2010-11-17 EP disclosed
WO-2009102864-A1 HEDGEHOG PATHWAY ANTAGONISTS AND METHODS OF USE STANFORD UNIVERSITY (US) 2009-08-20 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 (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-20110015201-A1 HEDGEHOG PATHWAY ANTAGONISTS AND METHODS OF USE SHH, GLI1, SMO KMT2A 1244/4885KDM4E 1642/4885HPGD 3250/4885
US-20120108630-A1 Hedgehog Pathway Antagonists and Methods of Use SHH, GLI1, SMO KMT2A 1244/4885KDM4E 1642/4885HPGD 3250/4885

“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.