SCHEMBL14900331

SCHEMBL14900331

CC(C)Oc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.77
KMT2A Q03164 3/20 0.77
TDP1 Q9NUW8 1/20 0.70
HSP90AA1 P07900 1/20 0.67
ALDH1A1 P00352 2/20 0.65
NPC1 O15118 1/20 0.64
HSD17B10 Q99714 2/20 0.63
LMNA P02545 1/20 0.62
MAPK1 P28482 1/20 0.62
MMP13 P45452 1/20 0.62
PKM P14618 1/20 0.62
GLA P06280 1/20 0.61
NR1H4 Q96RI1 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59

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
SCHEMBL5339633 0.84 PKM (0.63) MEN1KMT2ATDP1HSP90AA1ALDH1A1
SCHEMBL14900328 0.84 TDP1 (0.75) MEN1KMT2ATDP1HSP90AA1ALDH1A1
SCHEMBL108263 0.82 ALDH1A1 (0.92) MEN1KMT2ATDP1HSP90AA1ALDH1A1
SCHEMBL6781831 0.81 HSP90AA1 (0.82) MEN1KMT2ATDP1HSP90AA1ALDH1A1
SCHEMBL2958885 0.80 HSP90AA1 (0.76) MEN1KMT2ATDP1HSP90AA1ALDH1A1
SCHEMBL4925396 0.80 MEN1 (0.84) MEN1KMT2ATDP1HSP90AA1ALDH1A1
SCHEMBL1042327 0.80 RAB9A (0.78) MEN1KMT2ATDP1ALDH1A1NPC1
SCHEMBL13988420 0.80 TDP1 (0.67) MEN1KMT2ATDP1HSP90AA1ALDH1A1
SCHEMBL5338191 0.78 MEN1 (0.80) MEN1KMT2AALDH1A1NPC1HSD17B10
SCHEMBL10054206 0.78 ALDH1A1 (0.68) MEN1KMT2AALDH1A1HSD17B10LMNA

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-20130109714-A1 NEURODEGENERATIVE DISEASE THERAPEUTIC AGENT NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-05-02 US disclosed
US-20130109714-A1 NEURODEGENERATIVE DISEASE THERAPEUTIC AGENT NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2013-05-02 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-20130109714-A1 NEURODEGENERATIVE DISEASE THERAPEUTIC AGENT SNCA, NLN, GAP43 MEN1 4500/4885KMT2A 3716/4885TDP1 253/4885

“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.