SCHEMBL12136705

SCHEMBL12136705

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 11/20 0.44
KDM4E B2RXH2 5/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
KLK7 P49862 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 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
SCHEMBL95700 0.77 CA1 (0.39) MAPTHTTGAAKLK7KMT2A
SCHEMBL12569502 0.74 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EHTTMAPK1
SCHEMBL12136707 0.72 MAPT (0.47) ALDH1A1MAPTKDM4EHTTMAPK1
SCHEMBL13125298 0.72 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHTTMAPK1
SCHEMBL12050118 0.71 MMP1 (0.33)
SCHEMBL1085724 0.71 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EHTTMAPK1
SCHEMBL13660164 0.70 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EHTTMAPK1
SCHEMBL12136699 0.70 MAPT (0.52) ALDH1A1MAPTKDM4EHTTMAPK1
SCHEMBL12136703 0.70 MAPT (0.52) ALDH1A1MAPTKDM4EHTTMAPK1
SCHEMBL12658257 0.70 MAPT (0.49) ALDH1A1MAPTKDM4EHTTMAPK1

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 ALDH1A1 920/4885MAPT 3230/4885KDM4E 1092/4885

“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.