SCHEMBL537708

SCHEMBL537708

CC1(C)CC(O)CC(C)(C)N1N=Nc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 6/20 0.35
GAA P10253 2/20 0.35
TRPA1 O75762 1/20 0.34
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A1 P04798 1/20 0.32
KDM1A O60341 2/20 0.31

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
SCHEMBL537707 1.00 ALDH1A1 (0.36) ALDH1A1MAPTGAATRPA1NPC1
SCHEMBL537625 0.85 RAB9A (0.39) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL537626 0.85 RAB9A (0.39) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL612814 0.79 CYP1B1 (0.51) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL612813 0.79 CYP1B1 (0.51) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL537658 0.78 MEN1 (0.35) NPC1RAB9AKMT2AMEN1KDM1A
SCHEMBL537659 0.78 MEN1 (0.35) NPC1RAB9AKMT2AMEN1KDM1A
SCHEMBL10033970 0.77 ALDH1A1 (0.39) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL10033969 0.77 ALDH1A1 (0.39) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL10033965 0.76 TSHR (0.60) ALDH1A1MAPTGAARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940806-B2 Polymerizable compositions BASF SE (DE) 2015-01-27 US disclosed
US-20120041093-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-16 US disclosed
EP-2414324-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2012-02-08 EP disclosed
WO-2010112410-A1 POLYMERIZABLE COMPOSITIONS BASF SE (DE) 2010-10-07 WO 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-20120041093-A1 POLYMERIZABLE COMPOSITIONS H1-10, CBR1, NR1H2 ALDH1A1 3185/4885MAPT 3756/4885GAA 4844/4885

“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.