SCHEMBL20118877

SCHEMBL20118877

CCOC(=O)C1=CC2(CCC1C=O)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20118879 1.00 KDM4E (0.31) KDM4EMAPTNPC1HSP90AA1RAB9A
SCHEMBL18716811 1.00 KDM4E (0.31) KDM4EMAPTNPC1HSP90AA1RAB9A
SCHEMBL18607179 1.00 KDM4E (0.31) KDM4EMAPTNPC1HSP90AA1RAB9A
SCHEMBL20118880 0.90 KDM4E (0.32) KDM4EMAPTNPC1HSP90AA1RAB9A
SCHEMBL15146246 0.76 KMT2A (0.37) KDM4ESMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL18358559 0.73 ALDH1A1 (0.33) KDM4EMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL12634761 0.72 TLR4 (0.41) KDM4EMAPTRAB9ALMNAALDH1A1
SCHEMBL20111176 0.72 MEN1 (0.39) KDM4EMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20111182 0.72 ALDH1A1 (0.38) KDM4EMAPTLMNAALDH1A1
SCHEMBL20111175 0.72 POLB (0.36) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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-20180118708-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 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-20180118708-A1 CYCLIC COMPOUND TLR4, TLR3, TLR9 KDM4E 3638/4885MAPT 3713/4885NPC1 2902/4885

“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.