SCHEMBL6764273

SCHEMBL6764273

CC(C)(C)Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
KIF11 P52732 1/20 0.42
SLC6A4 P31645 7/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 2/20 0.41
AHR P35869 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
KCNH2 Q12809 7/20 0.38
HTR2A P28223 6/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMO O15229 1/20 0.37

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
SCHEMBL13945700 0.88 HSP90AA1 (0.56) HSP90AA1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL3790261 0.84 KIF11 (0.41) HSP90AA1KIF11SLC6A4SLC6A2SLC6A3
SCHEMBL3789460 0.84 KIF11 (0.41) HSP90AA1KIF11SLC6A4SLC6A2SLC6A3
SCHEMBL13945710 0.83 HTR2A (0.48) HSP90AA1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL16997499 0.83 CYP3A4 (0.43) HSP90AA1KIF11SLC6A4SLC6A2SLC6A3
SCHEMBL6764225 0.81 SLC6A4 (0.41) KIF11SLC6A4KMT2AKCNH2HTR2A
SCHEMBL3780972 0.81 TSHR (0.45) HSP90AA1KIF11SLC6A4SLC6A2SLC6A3
SCHEMBL3790344 0.81 CYP3A4 (0.45) HSP90AA1KIF11SLC6A4SLC6A2SLC6A3
SCHEMBL6764184 0.81 SOS1 (0.44) KIF11SLC6A4MEN1KMT2AKCNH2
SCHEMBL23934150 0.79 ALDH1A1 (0.42) KIF11SLC6A4SLC6A2SLC6A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9493429-B2 Substituted benzoxazoles and methods of use thereof GENENTECH, INC. (US) 2016-11-15 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-01-14 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-6207841-B1 Bisphenol derivative and its manufacturing method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-03-27 US disclosed
US-5599949-A Bisphenol derivative and its manufacturing method SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-02-04 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP HSP90AA1 129/4885KIF11 4418/4885SLC6A4 4793/4885
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B HSP90AA1 2527/4885KIF11 1326/4885SLC6A4 1741/4885
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 HSP90AA1 4307/4885KIF11 4743/4885SLC6A4 707/4885
US-20160009667-A1 SUBSTITUTED BENZOXAZOLES AND METHODS OF USE THEREOF CYP4X1, BRIX1, HAX1 HSP90AA1 3630/4885KIF11 4545/4885SLC6A4 1487/4885

“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.