SCHEMBL995336

SCHEMBL995336

CCOC(=O)N(C)c1cccc2c(N(C)C(=O)OCC)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 1/20 0.41
CDC25B P30305 5/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39

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
SCHEMBL11570035 0.90 SIGMAR1 (0.56) TSHRSIGMAR1ALDH1A1HPGDCDC25B
SCHEMBL2091852 0.83 HSD17B1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL7191106 0.82 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL997654 0.81 SIGMAR1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL2089971 0.80 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL5705166 0.79 LMNA (0.42) CA12CA1CA2CA7CA9
SCHEMBL9742579 0.78 TSHR (0.62) CA12CA1CA2CA7CA9
SCHEMBL31126854 0.78 TSHR (0.62) CA12CA1CA2CA7CA9
SCHEMBL7185633 0.78 TSHR (0.49) LMNAGAATSHRALDH1A1HPGD
Iodide SCHEMBL16269106 0.78 SIGMAR1 (0.36) CA12CA1CA2CA7CA9

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 CA12 4570/4885CA1 4162/4885CA2 3582/4885

“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.