SCHEMBL836048

SCHEMBL836048

COc1ccc(-c2cc(C=O)c3c(c2OC)CCC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ERN1 O75460 4/20 0.42
ALDH1A1 P00352 3/20 0.40
TRIM24 O15164 1/20 0.39
TYR P14679 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
BRD4 O60885 1/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
CYP2A6 P11509 1/20 0.38
BACE1 P56817 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36

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 0.76 MEN1 (0.50) MEN1KMT2AERN1ALDH1A1BRD4
SCHEMBL11624509 0.74 MEN1 (0.49) MEN1KMT2AERN1ALDH1A1BRD4
SCHEMBL3987493 0.74 KDM4E (0.51) MEN1KMT2AALDH1A1BRD4PTGS1
SCHEMBL836902 0.73 MEN1 (0.48) MEN1KMT2AERN1ALDH1A1LMNA
SCHEMBL835754 0.73 MEN1 (0.48) MEN1KMT2AERN1ALDH1A1PTGS1
SCHEMBL7608939 0.71 ERN1 (0.58) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL19854388 0.69 ERN1 (0.58) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL11629474 0.69 LMNA (0.46) MEN1KMT2AERN1ALDH1A1LMNA
SCHEMBL21367478 0.69 KMT2A (0.44) MEN1KMT2AERN1ALDH1A1CYP1A2
SCHEMBL5665974 0.68 MEN1 (0.43) MEN1KMT2AERN1ALDH1A1PTGS2

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 7 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
EP-2061766-A2 NOVEL COMPOUNDS Torrent Pharmaceuticals Ltd (IN) 2009-05-27 EP disclosed
WO-2008149379-A2 NOVEL COMPOUNDS TORRENT PHARMACEUTICALS LTD. (IN) 2008-12-11 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 (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 3000/4885ERN1 3029/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 MEN1 541/4885KMT2A 3000/4885ERN1 3029/4885

“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.