SCHEMBL2535414

SCHEMBL2535414

CC(C)(C)OC(=O)C1[CH]C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
CTSK P43235 1/20 0.35
NR1H2 P55055 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DGAT1 O75907 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
EPHX1 P07099 1/20 0.32
APLNR P35414 1/20 0.32
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL29010498 0.82 MAPK1 (0.43) MAPK1NFKB1NFKB2RELAHRH3
SCHEMBL13947268 0.81 NFKB1 (0.37) MAPK1NFKB1NFKB2RELACTSK
SCHEMBL27995523 0.81 NFKB1 (0.35) MAPK1NFKB1NFKB2RELAHRH3
SCHEMBL17054625 0.80 NR1H2 (0.33) MAPK1NFKB1NFKB2RELANR1H2
SCHEMBL5729208 0.77 NFKB1 (0.37) MAPK1NFKB1NFKB2RELACTSK
SCHEMBL28121050 0.76 MAPK1 (0.36) MAPK1NFKB1NFKB2RELACTSK
SCHEMBL27669362 0.76 MAPK1 (0.36) MAPK1NFKB1NFKB2RELACTSK
SCHEMBL882850 0.75 MAPK1 (0.40) MAPK1NFKB1NFKB2RELAHRH3
SCHEMBL3893969 0.74 MAPK1 (0.41) MAPK1NFKB1NFKB2RELAHRH3
SCHEMBL2541057 0.74 MAPK1 (0.41) MAPK1NFKB1NFKB2RELAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
CN-1812981-A Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMA CO LTD (JP) 2006-08-02 CN disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 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 (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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 MAPK1 1283/4885NFKB1 2869/4885NFKB2 2424/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 MAPK1 2500/4885NFKB1 2125/4885NFKB2 1715/4885

“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.