SCHEMBL2136385

SCHEMBL2136385

Nc1cc(N)cc(CCOC(=O)/C=C/c2ccc(C(=O)Oc3ccc(OCCCC(F)(F)C(F)(F)F)cc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA4 P22748 4/20 0.43
CA6 P23280 4/20 0.43
CA5A P35218 4/20 0.43
CA7 P43166 4/20 0.43
CA9 Q16790 4/20 0.43
CA14 Q9ULX7 4/20 0.43
CA5B Q9Y2D0 4/20 0.43
MET P08581 11/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
MAOB P27338 1/20 0.39
APP P05067 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL2141657 1.00 CA12 (0.43) CA12CA1CA4CA6CA5A
SCHEMBL2140107 0.96 MET (0.41) CA12CA1CA4CA6CA5A
SCHEMBL5069198 0.96 MET (0.41) CA12CA1CA4CA6CA5A
SCHEMBL678505 0.94 MAPT (0.40) CA12CA1CA4CA6CA5A
SCHEMBL1563735 0.93 CA12 (0.47) CA12CA1CA4CA6CA5A
SCHEMBL1564201 0.93 CA12 (0.47) CA12CA1CA4CA6CA5A
SCHEMBL11891868 0.92 CA12 (0.46) CA12CA1CA4CA6CA5A
SCHEMBL865188 0.92 MAPT (0.40) CA12CA1CA4CA6CA5A
SCHEMBL865187 0.92 MAPT (0.40) CA12CA1CA4CA6CA5A
SCHEMBL1565189 0.90 CA12 (0.46) CA12CA1CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 CA12 744/4885CA1 233/4885CA4 727/4885

“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.