SCHEMBL10119861

SCHEMBL10119861

CC(C)c1ccc2[nH]c(C(C)(C)C)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
EIF4A3 P38919 2/20 0.38
PTGS2 P35354 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SYK P43405 4/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
CFTR P13569 1/20 0.34
CYP2A6 P11509 1/20 0.34
KEAP1 Q14145 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
IDH1 O75874 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HTR1D P28221 1/20 0.33

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
SCHEMBL5947744 0.86 EIF4A3 (0.53) KIF11EIF4A3SCN10AKDM4EGAA
SCHEMBL24781197 0.84 KDM4E (0.41) KIF11EIF4A3PTGS2HDAC6SCN10A
SCHEMBL9910163 0.79 CYP2A6 (0.55) KIF11EIF4A3PTGS2HDAC6SCN10A
SCHEMBL1102337 0.76 LOXL2 (0.50) CYP2A6KEAP1KDM4EGAAMAPT
SCHEMBL3434958 0.76 KIF11 (0.46) KIF11SYKSCN10ACFTRCYP2A6
SCHEMBL889309 0.76 KIF11 (0.42) KIF11EIF4A3PTGS2HDAC6SCN10A
SCHEMBL31276626 0.76 KIF11 (0.46) KIF11SYKSCN10ACFTRCYP2A6
SCHEMBL13923569 0.76 LOXL2 (0.50) KDM4EGAALMNAMAPT
SCHEMBL19352880 0.74 SYK (0.37) KIF11SYKCFTRCYP2A6KEAP1
SCHEMBL12025195 0.74 FLT3 (0.50) SYKGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing VANDERBILT UNIVERSITY (US) 2024-01-02 US disclosed
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof UNIV MICHIGAN (US) 2023-09-21 US disclosed
US-11713305-B2 Zinc sensors for in vivo imaging of beta-cell function by MRI THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-01 US disclosed
US-20220015893-A1 METHOD OF ADJUSTING A BLENDED EXTENDED DEPTH OF FOCUS LIGHT ADJUSTABLE LENS WITH LATERALLY OFFSET AXES RXSIGHT, INC. 2022-01-20 US disclosed
US-11192852-B2 Pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators REATA PHARMACEUTICALS, INC. (US) 2021-12-07 US disclosed
US-11092549-B2 Fluorescent probes for drug permeability in gram negative bacteria SAINT LOUIS UNIVERSITY (US) 2021-08-17 US disclosed
US-20210147380-A1 CYSTEINE-DEPENDENT INVERSE AGONISTS OF NUCLEAR RECEPTORS ROR-GAMMA/ROR-GAMMA-T AND METHODS OF TREATING DISEASES OR DISORDERS THEREWITH REATA PHARMACEUTICALS, INC. (US) 2021-05-20 US disclosed
US-20200390099-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING UNIV VANDERBILT (US) 2020-12-17 US disclosed
US-20200207706-A1 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS REATA PHARMACEUTICALS, INC. (US) 2020-07-02 US disclosed
US-20200157078-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2020-05-21 US disclosed
US-9670147-B2 Antioxidant inflammation modulators: oleanolic acid derivatives with amino and other modifications at C-17 REATA PHARMACEUTICALS, INC. (US) 2017-06-06 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8653070-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 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 (14 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-20200207706-A1 PYRAZOLYL AND PYRIMIDINYL TRICYCLIC ENONES AS ANTIOXIDANT INFLAMMATION MODULATORS GPX4, MPO, GPX1 KIF11 4877/4885EIF4A3 961/4885PTGS2 31/4885
US-11856955-B2 Binary compositions as disruptors of Orco-mediated odorant sensing OR51E2, OR10J3, ORC3 KIF11 3102/4885EIF4A3 1596/4885PTGS2 4706/4885
US-11192852-B2 Pyrazolyl and pyrimidinyl tricyclic enones as antioxidant inflammation modulators GPX4, MPO, GPX1 KIF11 4877/4885EIF4A3 961/4885PTGS2 31/4885
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KIF11 3339/4885EIF4A3 62/4885PTGS2 1567/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KIF11 3339/4885EIF4A3 62/4885PTGS2 1567/4885
US-20210147380-A1 CYSTEINE-DEPENDENT INVERSE AGONISTS OF NUCLEAR RECEPTORS ROR-GAMMA/ROR-GAMMA-T AND METHODS OF TREATING DISEASES OR DISORDERS THEREWITH RORC, RORA, RORB KIF11 4149/4885EIF4A3 4121/4885PTGS2 846/4885
US-20200157078-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ESR2, ESRRG, ESR1 KIF11 4689/4885EIF4A3 4103/4885PTGS2 1352/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 KIF11 3445/4885EIF4A3 2061/4885PTGS2 3528/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KIF11 3339/4885EIF4A3 62/4885PTGS2 1567/4885
US-11713305-B2 Zinc sensors for in vivo imaging of beta-cell function by MRI IAPP, SLC30A6, NCS1 KIF11 3736/4885EIF4A3 4456/4885PTGS2 3050/4885
US-11092549-B2 Fluorescent probes for drug permeability in gram negative bacteria SLC47A2, SLC47A1, ABCB11 KIF11 3124/4885EIF4A3 4758/4885PTGS2 1164/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 KIF11 2987/4885EIF4A3 127/4885PTGS2 1803/4885
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof STAT6, STAT5B, STAT5A KIF11 3607/4885EIF4A3 1234/4885PTGS2 3398/4885
US-20200390099-A1 BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING OR51E2, OR10J3, ORC3 KIF11 3102/4885EIF4A3 1596/4885PTGS2 4706/4885

“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.