SCHEMBL996210

SCHEMBL996210

CCOC(=O)N(C)c1ccc(C)c(N(C)C(=O)OCC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.48
CTDSP1 Q9GZU7 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
CHRNB2 P17787 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA4 P43681 3/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPKAPK2 P49137 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
NR1H3 Q13133 1/20 0.36
HPGD P15428 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL20278053 0.85 SMN1; SMN2 (0.45) LMNATSHRKMT2AMEN1ALDH1A1
SCHEMBL16314171 0.83 ALDH1A1 (0.38) LMNATSHRALDH1A1POLBL3MBTL1
SCHEMBL8258018 0.83 LMNA (0.54) LMNATSHRCTDSP1KMT2AMEN1
SCHEMBL6492800 0.83 LMNA (0.50) LMNATSHRKMT2ACHRNB2CHRNB4
SCHEMBL10885835 0.79 S100B (0.51) LMNATSHRCTDSP1CHRNB2CHRNB4
SCHEMBL9136344 0.78 LMNA (0.62) LMNATSHRCTDSP1KMT2AMEN1
SCHEMBL15948329 0.77 CYP3A4 (0.45) LMNATSHRKMT2AMEN1ALDH1A1
SCHEMBL11396973 0.76 LMNA (0.50) LMNATSHRCTDSP1KMT2AMEN1
SCHEMBL997530 0.76 TSHR (0.49) LMNATSHRCTDSP1KMT2AMEN1
SCHEMBL16325404 0.75 ALDH1A1 (0.37) LMNATSHRALDH1A1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809574-B2 Method for preparing isocyanates by liquid-phase thermal cracking LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-19 US disclosed
US-20110021810-A1 METHOD FOR PREPARING ISOCYANATES BY LIQUID-PHASE THERMAL CRACKING LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2011-01-27 US 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-20110021810-A1 METHOD FOR PREPARING ISOCYANATES BY LIQUID-PHASE THERMAL CRACKING DBI, CCNI, DGKI LMNA 2263/4885TSHR 4586/4885CTDSP1 1028/4885

“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.