SCHEMBL995722

SCHEMBL995722

CCOC(=O)N(C)CCCCCCN(C)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
EPHX2 P34913 4/20 0.38
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
DNM1 Q05193 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL11092421 0.94 EPHX2 (0.45) ALDH1A1EPHX2DNM1
SCHEMBL10633025 0.94 EPHX2 (0.45) ALDH1A1EPHX2DNM1
SCHEMBL11095608 0.94 EPHX2 (0.45) ALDH1A1EPHX2DNM1
SCHEMBL29186322 0.94 EPHX2 (0.45) ALDH1A1EPHX2DNM1
SCHEMBL4647113 0.94 EPHX2 (0.45) ALDH1A1EPHX2DNM1
SCHEMBL5696819 0.94 EPHX2 (0.45) ALDH1A1EPHX2DNM1
SCHEMBL4006880 0.91 EPHX2 (0.42) ALDH1A1EPHX2DNM1
SCHEMBL8149451 0.90 LMNA (0.36) LMNAALDH1A1CA12CA1CA2
SCHEMBL8147983 0.90 LMNA (0.36) LMNAALDH1A1CA12CA1CA2
SCHEMBL5547671 0.90 LMNA (0.36) LMNAALDH1A1CA12CA1CA2

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 3 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
EP-0048368-B1 PROCESS FOR THE PREPARATION OF N- AND O-SUBSTITUTED MONO- OR BIS-URETHANES BAYER AG (DE) 1984-06-13 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-20110021810-A1 METHOD FOR PREPARING ISOCYANATES BY LIQUID-PHASE THERMAL CRACKING DBI, CCNI, DGKI LMNA 2263/4885ALDH1A1 1973/4885CA12 4570/4885

“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.