SCHEMBL3468482

SCHEMBL3468482

COC1([N+](=O)[O-])C=CC(C(=O)c2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CES1 P23141 4/20 0.34
CES2 O00748 3/20 0.34
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 4/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
SRC P12931 1/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
F2 P00734 1/20 0.32
PLAU P00749 1/20 0.32
KLKB1 P03952 1/20 0.32

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
SCHEMBL3041972 0.82 TSHR (0.41) TSHRCES1CES2EPHX1ALDH1A1
SCHEMBL3082114 0.80 CES2 (0.39) TSHRCES1CES2EPHX1ALDH1A1
SCHEMBL10586210 0.79 CES2 (0.38) TSHRCES1CES2EPHX1ALDH1A1
SCHEMBL8533255 0.79 CES2 (0.38) TSHRCES1CES2EPHX1ALDH1A1
SCHEMBL210844 0.79 TSHR (0.41) TSHRCES1CES2EPHX1ALDH1A1
SCHEMBL6512450 0.78 CES1 (0.37) TSHRCES1CES2EPHX1ALDH1A1
SCHEMBL3643052 0.77 TSHR (0.40) TSHRCES1CES2EPHX1ALDH1A1
SCHEMBL337965 0.77 TSHR (0.38) TSHRCES1CES2EPHX1ALDH1A1
SCHEMBL6903621 0.77 CES2 (0.33) TSHRCES1CES2EPHX1ALDH1A1
SCHEMBL2470208 0.76 EPHX1 (0.43) TSHRCES1CES2EPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 US disclosed
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-7560589-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 US disclosed
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION 2007-07-05 US disclosed
EP-1667955-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF THE ESTROGEN RECEPTOR SmithKline Beecham Corporation (US) 2006-06-14 EP disclosed
WO-2005012220-A9 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORP (US) 2005-05-19 WO disclosed
WO-2005012220-A2 CYCLOALKYLIDENE COMPOUNDS AS MODULATORS OF ESTROGEN RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed
EP-0315140-A2 Non-linear optical device HITACHI, LTD. (JP) 1989-05-10 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 (3 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-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor ESR2, GPER1, ESRRG TSHR 206/4885CES1 892/4885CES2 631/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG TSHR 206/4885CES1 892/4885CES2 631/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 TSHR 558/4885CES1 439/4885CES2 276/4885

“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.