SCHEMBL8587646

SCHEMBL8587646

COC(=O)C1(c2ccc(OC)cc2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 1/20 0.57
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
GAA P10253 1/20 0.53
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 3/20 0.50
CYP2C9 P11712 1/20 0.50
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
P2RX7 Q99572 1/20 0.48
GRIN1 Q05586 1/20 0.47

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
SCHEMBL8586765 0.98 KDM4E (0.58) KDM4EALDH1A1MAPTMAPK1CYP3A4
SCHEMBL837139 0.91 ALDH1A1 (0.55) KDM4EALDH1A1MAPTMAPK1CYP3A4
SCHEMBL8584110 0.86 ALDH1A1 (0.51) KDM4EALDH1A1MAPTMAPK1CYP3A4
SCHEMBL21874269 0.85 KMT2A (0.63) KDM4EALDH1A1MAPTMAPK1CYP3A4
SCHEMBL503877 0.85 KMT2A (0.63) KDM4EALDH1A1MAPTMAPK1CYP3A4
SCHEMBL15256583 0.85 CYP3A4 (0.57) KDM4EALDH1A1MAPTMAPK1CYP3A4
SCHEMBL3485510 0.85 MAPT (0.53) KDM4EALDH1A1MAPTMAPK1CYP3A4
SCHEMBL23163730 0.84 ALDH1A1 (0.62) ALDH1A1MAPTCYP3A4CYP2C19HPGD
SCHEMBL22026911 0.84 KDM4E (0.61) KDM4EALDH1A1MAPTMAPK1CYP3A4
SCHEMBL16287573 0.84 KCNA3 (0.48) KDM4EALDH1A1MAPTMAPK1CYP3A4

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-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO 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-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 KDM4E 278/4885ALDH1A1 1619/4885MAPT 2371/4885

“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.