SCHEMBL2111349

SCHEMBL2111349

COc1ccc(C(=O)N(c2ccc(OC)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
KMT2A Q03164 4/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
STAT3 P40763 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46

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
SCHEMBL2111847 0.83 ESR1 (0.57) SIGMAR1CES2ESR1ESR2
SCHEMBL4869612 0.81 SIGMAR1 (0.56) NPC1KMT2ARAB9AHPGDTDP1
SCHEMBL11827571 0.80 NPC1 (0.50) NPC1KMT2ARAB9AKDM4EHPGD
SCHEMBL2113520 0.79 KDM4E (0.71) NPC1KMT2ARAB9AKDM4EHPGD
SCHEMBL4868983 0.79 SIGMAR1 (0.48) NPC1RAB9AHPGDSIGMAR1MAPT
SCHEMBL2112462 0.79 KDM4E (0.59) KMT2ARAB9AKDM4EHPGDHSD17B1
SCHEMBL9001913 0.78 ALDH1A1 (0.49) NPC1KMT2ARAB9AKDM4ETUBB4A
SCHEMBL2112872 0.78 KDM4E (0.63) NPC1KMT2ARAB9AKDM4EHPGD
SCHEMBL2111928 0.78 KDM4E (0.73) NPC1KMT2ARAB9AKDM4EHPGD
SCHEMBL18745295 0.77 ESR1 (0.70) NPC1KMT2ARAB9AKDM4EHPGD

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
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO claimed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 US claimed
US-9409856-B2 Estrogen receptor ligands and methods of use thereof GTX, INC. (US) 2016-08-09 US disclosed
US-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF GTX, INC. 2016-02-04 US disclosed
US-8637706-B2 Nuclear receptor binding agents GTX, INC. (US) 2014-01-28 US disclosed
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2012-06-21 US disclosed
EP-2455362-A1 Nuclear receptor binding agents GTX, Inc. (US) 2012-05-23 EP disclosed
US-8158828-B2 Nuclear receptor binding agents GTX, INC. (US) 2012-04-17 US disclosed
US-20090062341-A1 Nuclear receptor binding agents GTX, INC 2009-03-05 US disclosed
WO-2008130571-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. (US) 2008-10-30 WO disclosed
US-20070265296-A1 Nuclear receptor binding agents GTX, INC. 2007-11-15 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 (4 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-20160031797-A1 ESTROGEN RECEPTOR LIGANDS AND METHODS OF USE THEREOF ESRRB, ESRRA, ESR2 NPC1 886/4885KMT2A 2272/4885RAB9A 3825/4885
US-20070265296-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 NPC1 1103/4885KMT2A 1506/4885RAB9A 3636/4885
US-20090062341-A1 Nuclear receptor binding agents GPER1, ESRRG, ESR2 NPC1 1103/4885KMT2A 1506/4885RAB9A 3636/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 NPC1 1103/4885KMT2A 1506/4885RAB9A 3636/4885

“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.