SCHEMBL731835

SCHEMBL731835

COC(=O)c1cc(-c2ccccc2)[nH]c(=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TAS2R38 P59533 1/20 0.46
EGFR P00533 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
PDE2A O00408 1/20 0.46
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP1 P09874 1/20 0.43
NOTUM Q6P988 1/20 0.43
KIF11 P52732 1/20 0.43
GAA P10253 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43

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
SCHEMBL248084 0.84 LMNA (0.48) LMNAMEN1KMT2APARP1MAPT
SCHEMBL1721212 0.79 XDH (0.43) TSHREGFRLMNAMEN1KMT2A
SCHEMBL8963513 0.78 TSHR (0.53) TSHREGFRLMNAMEN1KMT2A
SCHEMBL1720931 0.77 MAPT (0.40) TSHRMEN1KMT2AMAPT
SCHEMBL27878777 0.77 TSHR (0.68) TSHREGFRLMNAGAAMAPT
SCHEMBL13987151 0.76 KIF11 (0.51) TSHRMEN1KMT2APARP1KIF11
SCHEMBL976938 0.75 F2 (0.59) LMNAMEN1KMT2AKIF11TUBB4A
SCHEMBL4880986 0.75 CASP3 (0.71) TSHREGFRLMNAMEN1KMT2A
SCHEMBL4433925 0.75 TSHR (0.46) TSHRPDE2ALMNAMEN1KMT2A
SCHEMBL10744282 0.75 TUBB4A (0.76) LMNAMEN1KMT2AKIF11TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2812001-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-12-17 EP disclosed
WO-2013120104-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-08-15 WO disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
EP-2120569-A2 SPIROCHROMANON DERIVATIVES Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 WO 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 (1 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 TSHR 680/4885TAS2R38 2723/4885EGFR 3322/4885

“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.