SCHEMBL835754

SCHEMBL835754

COc1c(Cl)cc(C=O)c2c1CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PTGS2 P35354 2/20 0.38
MCL1 Q07820 1/20 0.37
PTGS1 P23219 1/20 0.37
ERN1 O75460 4/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
ALPG P10696 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HSD17B3 P37058 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
SCHEMBL834457 0.83 MEN1 (0.50) MEN1KMT2AMCL1ERN1ALDH1A1
SCHEMBL11624509 0.81 MEN1 (0.49) MEN1KMT2AERN1ALDH1A1MAPT
SCHEMBL836902 0.80 MEN1 (0.48) MEN1KMT2AMCL1ERN1ALDH1A1
SCHEMBL21367478 0.75 KMT2A (0.44) MEN1KMT2AMCL1ERN1ALDH1A1
SCHEMBL11629474 0.75 LMNA (0.46) MEN1KMT2AERN1ALDH1A1MAPT
SCHEMBL5665974 0.74 MEN1 (0.43) MEN1KMT2APTGS2MCL1ERN1
SCHEMBL21367476 0.74 MEN1 (0.31) MEN1KMT2A
SCHEMBL30777425 0.74 ERN1 (0.48) MEN1KMT2AERN1ALDH1A1MAPT
SCHEMBL835857 0.74 ERN1 (0.48) MEN1KMT2AERN1ALDH1A1MAPT
SCHEMBL836048 0.73 MEN1 (0.42) MEN1KMT2APTGS2PTGS1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378118-B2 Pyrazole-based thyroid receptor compounds TORRENT PHARMACEUTICALS LTD. (IN) 2013-02-19 US disclosed
US-20120202816-A1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS, LTD. (IN) 2012-08-09 US disclosed
US-8143424-B2 Thyroid like compounds TORRENT PHARMACEUTICALS LTD. (IN) 2012-03-27 US disclosed
EP-2061766-B1 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD (IN) 2010-08-18 EP disclosed
US-20100168110-A1 Novel Compounds TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-01 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-20120202816-A1 NOVEL COMPOUNDS TSHR, THRB, GPR119 MEN1 541/4885KMT2A 3000/4885PTGS2 3074/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 MEN1 541/4885KMT2A 3000/4885PTGS2 3074/4885

“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.