SCHEMBL1338196

SCHEMBL1338196

CCN(CC)C(F)(F)c1ccc(OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
AOC3 Q16853 2/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1I2 O75469 1/20 0.38
HSD11B1 P28845 1/20 0.38
KIF11 P52732 2/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4427051 0.79 KIF11 (0.42) CA1CA2CA7CA9ALDH1A1
SCHEMBL812665 0.78 TSHR (0.41) CA1CA2CA9MAPTRAB9A
SCHEMBL3213108 0.76 MEN1 (0.40) L3MBTL1LMNAMAPK1MEN1KMT2A
SCHEMBL15398955 0.74 KIF11 (0.49) KIF11LMNAKCNH2
SCHEMBL812265 0.73 KIF11 (0.52) ALDH1A1GAAMAPTRAB9AL3MBTL1
SCHEMBL255255 0.72 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL29456155 0.72 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL16158185 0.70 MEN1 (0.47) CA1CA2ALDH1A1MAPTLMNA
SCHEMBL9072846 0.70 CA1 (0.55) CA12CA1CA2CA7CA9
Hydrogen Sulfide SCHEMBL28878314 0.70 CA1 (0.55) 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-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 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-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO CA12 2342/4885CA1 1882/4885CA2 2307/4885

“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.