SCHEMBL10080941

SCHEMBL10080941

CC(F)Oc1cccc(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.42
HDAC4 P56524 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
MDM4 O15151 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
TYR P14679 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CA5A P35218 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL824148 0.88 KDM4E (0.46) KDM4ETSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL5961819 0.85 MTNR1A (0.40) KDM4EALDH1A1SMN1; SMN2PTGS1HPGD
SCHEMBL2737262 0.83 KDM4E (0.49) KDM4ETSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL30345552 0.79 PTGS1 (0.56) KDM4ETSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL11063307 0.79 PTGS1 (0.56) KDM4ETSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL15146352 0.78 ACHE (0.54) ALDH1A1SMN1; SMN2LMNATP53ACHE
SCHEMBL17125344 0.78 ACHE (0.54) ALDH1A1SMN1; SMN2LMNATP53ACHE
SCHEMBL84440 0.77 HDAC4 (0.55) KDM4ETSHRALDH1A1HDAC4HDAC8
SCHEMBL30601580 0.77 HDAC4 (0.55) KDM4ETSHRALDH1A1HDAC4HDAC8
SCHEMBL15849013 0.77 PTGS1 (0.55) KDM4ETSHRALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors Merck Sharp & Dohme, LLC (US) 2024-05-07 US disclosed
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 US disclosed
US-20230174521-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-06-08 US disclosed
US-20230159513-A1 PYRIDAZINONE COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISEASES EDGEWISE THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME Sanford Burnham Prebys Medical Discovery Institute 2023-05-04 US disclosed
US-20170313989-A1 INHIBITION AND ENHANCEMENT OF REPROGRAMMING BY CHROMATIN MODIFYING ENZYMES CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-11-02 US disclosed
US-9670463-B2 Inhibition and enhancement of reprogramming by chromatin modifying enzymes CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-06-06 US disclosed
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2017-05-18 US disclosed
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. 2017-03-23 US disclosed
US-9446064-B2 Combination therapy for treating cancer Epizyme, Inc. (US) 2016-09-20 US disclosed
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds Epizyme, Inc. (US) 2014-02-20 US disclosed
US-8580762-B2 Substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2013-11-12 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTIS PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-05-26 US disclosed
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 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 (15 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-20230135635-A1 INHIBITORS OF ULK1/2 AND METHODS OF USING SAME ULK2, ULK1, ULK3 KDM4E 2417/4885TSHR 4724/4885ALDH1A1 4012/4885
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 KDM4E 1001/4885TSHR 2438/4885ALDH1A1 2062/4885
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 KDM4E 1754/4885TSHR 1898/4885ALDH1A1 1855/4885
US-20230159513-A1 PYRIDAZINONE COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISEASES IL6, IL1B, IL1RN KDM4E 3412/4885TSHR 3460/4885ALDH1A1 370/4885
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG KDM4E 2370/4885TSHR 2483/4885ALDH1A1 3409/4885
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 KDM4E 2205/4885TSHR 4648/4885ALDH1A1 1000/4885
US-20110306612-A1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 KDM4E 1577/4885TSHR 3318/4885ALDH1A1 1976/4885
US-20110124637-A1 BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 KDM4E 1352/4885TSHR 2427/4885ALDH1A1 639/4885
US-20170137455-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 KDM4E 66/4885TSHR 4046/4885ALDH1A1 2404/4885
US-20170080010-A1 COMBINATION THERAPY FOR TREATING CANCER DOT1L, ASH1L, CARM1 KDM4E 115/4885TSHR 3976/4885ALDH1A1 1001/4885
US-20230174521-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 KDM4E 2148/4885TSHR 4632/4885ALDH1A1 1203/4885
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 KDM4E 1773/4885TSHR 4673/4885ALDH1A1 869/4885
US-20140051654-A1 Substituted Purine and 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 KDM4E 235/4885TSHR 4489/4885ALDH1A1 592/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 KDM4E 235/4885TSHR 4489/4885ALDH1A1 592/4885
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 2924/4885TSHR 3329/4885ALDH1A1 1368/4885

“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.