SCHEMBL12136707

SCHEMBL12136707

CCCC(C)CCCCC(CCC(C)CCC)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
ALDH1A1 P00352 9/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 5/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KLK7 P49862 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL12136703 0.87 MAPT (0.52) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL12136699 0.87 MAPT (0.52) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL14947263 0.79 MAPT (0.51) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL14947262 0.79 MAPT (0.51) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL12658257 0.77 MAPT (0.49) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL12658258 0.76 MAPT (0.48) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL13125298 0.76 ALDH1A1 (0.57) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL12569502 0.75 ALDH1A1 (0.62) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL12658341 0.73 ALDH1A1 (0.51) MAPTALDH1A1HTTKDM4EMAPK1
SCHEMBL12136705 0.72 ALDH1A1 (0.46) MAPTALDH1A1HTTKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362270-B2 Self-assembled nanostructures XEROX CORPORATION (US) 2013-01-29 US disclosed
US-8362270-B2 Self-assembled nanostructures XEROX CORPORATION (US) 2013-01-29 US disclosed
US-20110282072-A1 SELF-ASSEMBLED NANOSTRUCTURES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-11-17 US disclosed
US-20110282072-A1 SELF-ASSEMBLED NANOSTRUCTURES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-11-17 US disclosed
EP-2322512-A1 Alkylated benzimidazolone compounds and self-assembled nanostructures generated therefrom Xerox Corporation (US) 2011-05-18 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-20110282072-A1 SELF-ASSEMBLED NANOSTRUCTURES RB1, CNKSR1, RBBP4 MAPT 3230/4885ALDH1A1 920/4885HTT 389/4885

“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.