SCHEMBL2646961

SCHEMBL2646961

CC(C)(O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR2 P34972 5/20 0.37
CNR1 P21554 4/20 0.37
GAA P10253 1/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
TPMT P51580 1/20 0.35
FDPS P14324 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP11B2 P19099 2/20 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
SCHEMBL5950550 0.94 MEN1 (0.44) TSHRMEN1KMT2ACNR2CNR1
SCHEMBL11457726 0.93 MEN1 (0.39) TSHRMEN1KMT2ACNR2CNR1
SCHEMBL20933032 0.87 GABRA1 (0.48) TSHRMEN1KMT2ACNR2CNR1
SCHEMBL19507024 0.85 MEN1 (0.38) TSHRMEN1KMT2ACNR2CNR1
SCHEMBL20569873 0.84 MEN1 (0.37) TSHRMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL24592554 0.79 MEN1 (0.33) MEN1KMT2AHSD11B1CYP11B2TNKS
SCHEMBL31401375 0.79 TPMT (0.59) TSHRTPMT
SCHEMBL30457925 0.79 ERN1 (0.36) MEN1KMT2AHSD11B1ALDH1A1HSD17B10
SCHEMBL24480874 0.79 L3MBTL1 (0.37) MEN1KMT2AHSD11B1CYP11B2
SCHEMBL30602887 0.79 L3MBTL1 (0.37) MEN1KMT2AHSD11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP claimed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO claimed
EP-0090875-B1 SEPARATION OF 3,5-DICHLOROCUMENE FROM A MIXTURE OF 3,5-DICHLOROCUMENE AND 2,4-DICHLOROCUMENE THE DOW CHEMICAL COMPANY (US) 1985-07-31 EP claimed
EP-0061720-B1 PROCESS FOR THE SELECTIVE ALIPHATIC CHLORINATION OF ALKYLBENZENES THE DOW CHEMICAL COMPANY (US) 1985-03-13 EP claimed
US-9718817-B2 Aryl and heteroaryl ether compounds as ROR gamma modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2017-08-01 US disclosed
EP-3131880-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2017-02-22 EP disclosed
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-01-26 US disclosed
WO-2015159233-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-10-22 WO disclosed
EP-2200612-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-06-30 EP disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 WO disclosed
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed
EP-0372586-B1 Cyclic amide compounds and herbicides KUMIAI CHEMICAL INDUSTRY CO (JP) 1995-04-26 EP disclosed
US-5076834-A 1,2,5,6-TETRAHYDROPYRIDINE-2-ONE COMPOUNDS WHICH ARE USEFUL HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-12-31 US disclosed
US-5006157-A Pyrrolin-2-one compounds which are useful as herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-04-09 US disclosed
EP-0372586-A2 Cyclic amide compounds and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-06-13 EP disclosed
US-4594467-A DEHYDROBROMINATING ALPH-BROMO-3,5-DICHLORO CUMENE WITH ALKALI METAL HYDROXIDE IN PRESENCE OF PHASE TRANSFER CATALYST BAYER AKTIENGESELLSCHAFT (DE) 1986-06-10 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 (2 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR TSHR 99/4885MEN1 2548/4885KMT2A 4214/4885
US-20170022195-A1 ARYL AND HETEROARYL ETHER COMPOUNDS AS ROR GAMMA MODULATORS RORB, RORA, RORC TSHR 261/4885MEN1 4726/4885KMT2A 1211/4885

“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.