SCHEMBL2318592

SCHEMBL2318592

CC(C)(C)Oc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.42
KCNH2 Q12809 2/20 0.41
KMT2A Q03164 2/20 0.41
OGG1 O15527 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KIF11 P52732 1/20 0.41
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR2A P28223 1/20 0.40
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL28227071 0.91 WDR5 (0.40) WDR5KCNH2KMT2AOGG1POLB
SCHEMBL260934 0.84 KIF11 (0.47) KMT2ALMNASMN1; SMN2KIF11MEN1
SCHEMBL8371469 0.83 PGR (0.44) WDR5KCNH2KMT2AOGG1POLB
SCHEMBL13019816 0.79 ALDH1A1 (0.46) KMT2ALMNASMN1; SMN2KIF11MEN1
SCHEMBL29893341 0.78 P2RX1 (0.50) WDR5KCNH2
SCHEMBL255377 0.78 P2RX1 (0.50) WDR5KCNH2
SCHEMBL8888581 0.77 KMT2A (0.42) WDR5KCNH2KMT2AOGG1POLB
SCHEMBL9588829 0.77 HSD11B1 (0.49) KMT2AOGG1POLBHTR2AMEN1
SCHEMBL17859584 0.77 HSD11B1 (0.46) KMT2AOGG1POLBHTR2AMEN1
SCHEMBL3374117 0.77 PPARA (0.64) KMT2AOGG1MEN1KDM4ECYP1A2

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108285409-B Method for synthesizing tert-butoxy substituted styrene and derivatives thereof 徐州博康信息化学品有限公司 2022-03-15 CN claimed
EP-0307106-B1 P- OR M-TERT BUTOXYPHENETHYL ALCOHOL AND PROCESS FOR PREPARING THE SAME HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1992-01-15 EP claimed
EP-0307106-A1 P- or m-tert butoxyphenethyl alcohol and process for preparing the same HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1989-03-15 EP claimed
CN-108285409-B Method for synthesizing tert-butoxy substituted styrene and derivatives thereof 徐州博康信息化学品有限公司 2022-03-15 CN disclosed
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF HEPANOVA, INC. 2021-11-04 US disclosed
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof HEPANOVA, INC. (US) 2021-05-11 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
CN-108285409-A A method of the Styrene and its derivatives of synthesis tert-butoxy substitution 上海博栋化学科技有限公司 2018-07-17 CN disclosed
US-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 US disclosed
US-20180072677-A1 Peptidomimetics and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-03-15 US disclosed
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION 2006-10-05 US disclosed
EP-1707263-A1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same Tosoh Corporation (JP) 2006-10-04 EP disclosed
EP-0790251-B1 Preparation and use of (3-alkoxyphenyl) magnesium chlorides GRUENENTHAL GMBH (DE) 2002-12-04 EP disclosed
CN-1075075-C Preparation and use of (3-alkoxyphenyl) magnesium chlorides GRUENETHAL GMBH (DE) 2001-11-21 CN disclosed
US-5852216-A Preparation and use of (3-alkoxy-phenyl) magnesium chlorides GRUENENTHAL GMBH (DE) 1998-12-22 US disclosed
CN-1166491-A Preparation and use of (3-alkoxyphenyl) magnesium chlorides GRUENENTHAL GMBH (DE) 1997-12-03 CN disclosed
EP-0790251-A2 Preparation and use of (3-alkoxyphenyl) magnesium chlorides Grünenthal GmbH (DE) 1997-08-20 EP disclosed
EP-0307106-B1 P- OR M-TERT BUTOXYPHENETHYL ALCOHOL AND PROCESS FOR PREPARING THE SAME HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1992-01-15 EP disclosed
EP-0307106-A1 P- or m-tert butoxyphenethyl alcohol and process for preparing the same HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1989-03-15 EP 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 (5 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-10035790-B2 RORγ modulators RORB, RORA, RORC WDR5 2343/4885KCNH2 1711/4885KMT2A 2258/4885
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same C5, TST, PYM1 WDR5 1060/4885KCNH2 234/4885KMT2A 1683/4885
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof AADAC, GOT2, ABAT WDR5 1977/4885KCNH2 4525/4885KMT2A 771/4885
US-20180072677-A1 Peptidomimetics and Methods of Using the Same OPRM1, OPRL1, OPRD1 WDR5 3748/4885KCNH2 2129/4885KMT2A 3829/4885
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF AADAC, GOT2, ABAT WDR5 1977/4885KCNH2 4525/4885KMT2A 771/4885

“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.