SCHEMBL3023100

SCHEMBL3023100

Cc1cc(O[Si](C)(C)C(C)(C)C)cc2c1C(=O)CC(C)(C)O2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOB P27338 5/20 0.39
PREP P48147 1/20 0.36

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
SCHEMBL10402787 0.80 KDM4E (0.54) MAPTMAPK1KDM4EALDH1A1RAB9A
SCHEMBL68894 0.75 TSHR (0.60) MAPTMAPK1KDM4EALDH1A1RAB9A
SCHEMBL5189050 0.74 ALDH1A1 (0.54) MAPTMAPK1KDM4EALDH1A1RAB9A
SCHEMBL3030839 0.73 ALDH1A1 (0.74) MAPTMAPK1KDM4EALDH1A1RAB9A
SCHEMBL5717619 0.73 KDM4E (0.71) MAPTMAPK1KDM4EALDH1A1RAB9A
SCHEMBL10608594 0.73 KDM4E (0.55) MAPTMAPK1KDM4EALDH1A1RAB9A
SCHEMBL5717859 0.72 KDM4E (0.66) MAPTMAPK1KDM4EALDH1A1RAB9A
SCHEMBL23599361 0.71 PREP (0.43) PREP
SCHEMBL3029917 0.69
SCHEMBL10403796 0.68 MEN1 (0.51) MAPTMAPK1KDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 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 (2 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R MAPT 4234/4885MAPK1 719/4885KDM4E 1296/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R MAPT 4323/4885MAPK1 881/4885KDM4E 1217/4885

“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.