SCHEMBL20118880

SCHEMBL20118880

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.32
ALDH1A1 P00352 6/20 0.32
LMNA P02545 4/20 0.32
ABCC1 P33527 1/20 0.32
GAA P10253 4/20 0.32
MGAM O43451 1/20 0.32
AMY1A P0DUB6 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HPGD P15428 3/20 0.32
HSD17B10 Q99714 3/20 0.32
MAPT P10636 5/20 0.31
ADORA3 P0DMS8 4/20 0.31
CYP2C9 P11712 4/20 0.31
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C19 P33261 3/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
RAB9A P51151 1/20 0.31

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 0.90 KDM4E (0.31) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL20118877 0.90 KDM4E (0.31) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL18607179 0.90 KDM4E (0.31) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL18716811 0.90 KDM4E (0.31) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL18211863 0.72 L3MBTL1 (0.38) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL18589093 0.72 L3MBTL1 (0.38) KDM4EALDH1A1LMNAGAAHPGD
SCHEMBL20111174 0.72 TLR4 (0.43) ALDH1A1LMNAGAAMAPTCYP2C9
SCHEMBL1864585 0.71 TLR4 (0.63) LMNAKMT2ANPSR1TP53
SCHEMBL15146246 0.67 KMT2A (0.37) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL28769217 0.64 SMN1; SMN2 (0.37) KDM4EALDH1A1LMNAGAAHPGD

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 3638/4885ALDH1A1 973/4885LMNA 3947/4885

“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.