SCHEMBL14900330

SCHEMBL14900330

CC(C)Cc1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
NPC1 O15118 1/20 0.65
POLB P06746 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
LMNA P02545 2/20 0.63
MAPK1 P28482 1/20 0.63
MMP13 P45452 1/20 0.63
HSP90AA1 P07900 1/20 0.60
HSD17B10 Q99714 4/20 0.60
HPGD P15428 4/20 0.60
RAB9A P51151 1/20 0.60
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.57

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
SCHEMBL14900328 0.93 TDP1 (0.75) ALDH1A1NPC1POLBTDP1MEN1
SCHEMBL108263 0.85 ALDH1A1 (0.92) ALDH1A1NPC1POLBTDP1MEN1
SCHEMBL5606771 0.84 ALDH1A1 (0.65) ALDH1A1NPC1TDP1MEN1KMT2A
SCHEMBL5606756 0.84 ALDH1A1 (0.65) ALDH1A1NPC1TDP1MEN1KMT2A
SCHEMBL1042605 0.83 ALDH1A1 (0.74) ALDH1A1NPC1POLBTDP1MEN1
SCHEMBL647939 0.83 RAB9A (0.84) ALDH1A1NPC1TDP1MEN1KMT2A
SCHEMBL1042327 0.82 RAB9A (0.78) ALDH1A1NPC1POLBTDP1MEN1
SCHEMBL1039149 0.81 GAA (0.74) ALDH1A1NPC1TDP1MEN1KMT2A
SCHEMBL14900332 0.81 RAB9A (0.62) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL1041554 0.80 ALDH1A1 (0.69) ALDH1A1NPC1TDP1MEN1KMT2A

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 ALDH1A1 2427/4885NPC1 508/4885POLB 1576/4885

“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.