SCHEMBL837142

SCHEMBL837142

COc1c(C)ccc2c1CC(Oc1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
APP P05067 2/20 0.36
ALDH1A1 P00352 4/20 0.36
AGTR2 P50052 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS2 P35354 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOB P27338 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL837775 0.76 ACHE (0.38) MAPTMEN1KMT2AAPPALDH1A1
SCHEMBL11044966 0.69 EPHX2 (0.54) MAPTKMT2AALDH1A1HSD17B10LMNA
SCHEMBL9617219 0.67 HSPB1 (0.56) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL3274096 0.66 HRH3 (0.55) MAPTALDH1A1KCNJ1KCNH2LMNA
SCHEMBL8973048 0.66 MAPT (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3910348 0.65 CYP19A1 (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL25583638 0.65 CYP19A1 (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL31558431 0.65 ALDH1A1 (0.53) MAPTMEN1KMT2AAPPALDH1A1
SCHEMBL22042128 0.65 HSPB1 (0.44) KMT2AALDH1A1HSD17B10LMNATP53
SCHEMBL25583651 0.65 CYP19A1 (0.50) MAPTMEN1KMT2AALDH1A1LMNA

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 MAPT 4782/4885MEN1 541/4885KMT2A 3000/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 MAPT 4782/4885MEN1 541/4885KMT2A 3000/4885

“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.