SCHEMBL14213259

SCHEMBL14213259

Cc1cccc(Cc2cccc(Cc3cccc(Cc4cccc(C)c4OCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c3O)c2OCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
SCN2A Q99250 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NQO2 P16083 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
SCN8A Q9UQD0 6/20 0.31
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
IDO1 P14902 1/20 0.31
SCN9A Q15858 1/20 0.30
PDK2 Q15119 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10046761 0.95 L3MBTL1 (0.38) L3MBTL1SCN2AALDH1A1NQO2MAPT
SCHEMBL10046759 0.95 L3MBTL1 (0.38) L3MBTL1SCN2AALDH1A1NQO2MAPT
SCHEMBL14681006 0.87 SCN9A (0.37) ALDH1A1NQO2CA12CA1CA2
SCHEMBL10046752 0.79 CA12 (0.31) CA12CA1CA2CA9PDK2
SCHEMBL10046753 0.79 CA12 (0.33) CA12CA1CA2CA9IDO1
SCHEMBL14213258 0.79 CA12 (0.33) CA12CA1CA2CA9IDO1
SCHEMBL10064289 0.76 SCN9A (0.40) L3MBTL1ALDH1A1CA12CA1CA2
SCHEMBL14213253 0.75 KDM4E (0.33) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL21601421 0.72 L3MBTL1 (0.61) L3MBTL1SCN2AALDH1A1NQO2MAPT
SCHEMBL24671341 0.71 CA12 (0.49) L3MBTL1ALDH1A1MAPTCA12CA1

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-8716343-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-05-06 US disclosed
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-12-06 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-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU L3MBTL1 4112/4885SCN2A 4473/4885ALDH1A1 4794/4885

“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.