SCHEMBL12690141

SCHEMBL12690141

COc1ccc(-c2ccc(C)cc2)cc1CN[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 5/20 0.36
GAA P10253 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX12 P18054 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
TACR1 P25103 1/20 0.35
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL12690162 0.95 MEN1 (0.39) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL12678390 0.93 MEN1 (0.41) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL12678362 0.93 GPR119 (0.40) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL12678373 0.92 CACNB4 (0.37) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL12678720 0.91 TACR1 (0.45) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL12678353 0.91 MEN1 (0.42) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL12678367 0.91 SCN9A (0.40) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL4891350 0.91 TACR1 (0.45) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL12678402 0.90 CYP1A2 (0.42) ALDH1A1LMNA
SCHEMBL12678434 0.90 MTOR (0.37) MAPTALDH1A1GAAMEN1KMT2A

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-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 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-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO MAPT 4623/4885ALDH1A1 1638/4885GAA 3561/4885

“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.