SCHEMBL3765449

SCHEMBL3765449

C=CC(=O)OC(C)c1ccccc1C(CC)c1ccccc1C(C)OC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
THRB P10828 4/20 0.39
THRA P10827 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
AKT1 P31749 1/20 0.33
ACACB O00763 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL28241612 0.81 L3MBTL1 (0.44) THRBTHRAALDH1A1MAPTMEN1
SCHEMBL9601240 0.80 THRB (0.39) HCAR2THRBTHRAALDH1A1MAPT
SCHEMBL8549851 0.80 HCAR2 (0.43) HCAR2THRBTSHRALDH1A1MAPT
SCHEMBL1906054 0.80 GABRA1 (0.46) HCAR2THRBTHRATSHRCYP2C19
SCHEMBL3684997 0.80 HCAR2 (0.41) HCAR2THRBTHRATSHRALDH1A1
SCHEMBL9819112 0.78 HCAR2 (0.41) HCAR2THRBTHRATSHRCYP2C19
SCHEMBL8038710 0.78 HCAR2 (0.41) HCAR2THRBTHRATSHRALDH1A1
SCHEMBL7189816 0.78 POLB (0.45) HCAR2THRBTHRAKMT2A
Hydrochloric Acid SCHEMBL847008 0.77 SLC6A4 (0.39) HCAR2THRBTHRATSHRALDH1A1
SCHEMBL28863896 0.77 HCAR2 (0.67) HCAR2THRBALDH1A1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305327-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME ADEKA CORPORATION (JP) 2010-12-02 US disclosed
EP-1978017-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME Adeka Corporation (JP) 2008-10-08 EP disclosed
US-5071888-A Storage stability ASAHI DENKA KOGYO K.K. (JP) 1991-12-10 US disclosed
EP-0171600-A1 Carbazole photoinitiators for the photopolymerization of unsaturated compounds ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1986-02-19 EP 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-20100305327-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME NOX5, NOX1, NOC2L HCAR2 4072/4885THRB 4747/4885THRA 4866/4885

“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.