SCHEMBL837775

SCHEMBL837775

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
APP P05067 1/20 0.35
CRHBP P24387 1/20 0.35
GFER P55789 1/20 0.35
CRHR2 Q13324 1/20 0.35
SOS1 Q07889 2/20 0.35
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 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
SCHEMBL837142 0.76 MAPT (0.37) ACHEHTR2AMEN1KMT2AMAPT
SCHEMBL9617219 0.66 HSPB1 (0.56) ACHEMEN1KMT2AMAPTALDH1A1
SCHEMBL492221 0.63 APP (0.70) ACHEMEN1KMT2AMAPTALDH1A1
SCHEMBL20328414 0.63 APP (0.70) ACHEMEN1KMT2AMAPTALDH1A1
SCHEMBL20328415 0.63 APP (0.70) ACHEMEN1KMT2AMAPTALDH1A1
SCHEMBL31448094 0.62 HSPB1 (0.51) ACHEMEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL15269629 0.62 APP (0.68) ACHEMEN1KMT2AMAPTALDH1A1
SCHEMBL31096483 0.62 APP (0.68) ACHEMEN1KMT2AMAPTALDH1A1
SCHEMBL28853641 0.62 APP (0.68) ACHEMEN1KMT2AMAPTALDH1A1
Ethane SCHEMBL10589507 0.62 APP (0.68) ACHEMEN1KMT2AMAPTALDH1A1

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 ACHE 2902/4885HTR2A 1600/4885HTR2C 1805/4885
US-20100168110-A1 Novel Compounds TSHR, THRB, GPR119 ACHE 2902/4885HTR2A 1600/4885HTR2C 1805/4885

“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.