SCHEMBL16999965

SCHEMBL16999965

COc1cc2c(c(F)c1OC)CCC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 0.43
TUBB8 Q3ZCM7 3/20 0.43
TUBA3E Q6PEY2 3/20 0.43
TUBA1A Q71U36 3/20 0.43
TUBA1C Q9BQE3 3/20 0.43
TUBB6 Q9BUF5 3/20 0.43
TUBB2B Q9BVA1 3/20 0.43
TUBB1 Q9H4B7 3/20 0.43
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL6113045 0.84 KDM4E (0.64) KDM4EALDH1A1HPGDTUBB4ATUBB
SCHEMBL31673942 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDTUBB4ATUBB
SCHEMBL3967795 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDTUBB4ATUBB
SCHEMBL3088172 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDTUBB4ATUBB
SCHEMBL31674081 0.78 KDM4E (0.51) KDM4EALDH1A1HPGDTUBB4ATUBB
SCHEMBL7998453 0.77 KDM4E (0.54) KDM4EALDH1A1HPGDTUBB4ATUBB
SCHEMBL7117998 0.77 KDM4E (0.58) KDM4EALDH1A1HPGDTUBB4ATUBB
SCHEMBL23857698 0.76 KDM4E (0.67) KDM4EALDH1A1HPGDTUBB4ATUBB
SCHEMBL18018614 0.76 KDM4E (0.49) KDM4EALDH1A1HPGDTUBB4ATUBB
SCHEMBL20234384 0.75 BRD4 (0.41) KDM4EALDH1A1HPGDTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249098-B2 Derivatives of donepezil CHENG XUEHENG (US) 2016-02-02 US disclosed
US-9249098-B2 Derivatives of donepezil CHENG XUEHENG (US) 2016-02-02 US disclosed
US-20150225343-A1 NOVEL DERIVATIVES OF DONEPEZIL CHENG XUEHENG (US) 2015-08-13 US disclosed
US-20150225343-A1 NOVEL DERIVATIVES OF DONEPEZIL CHENG XUEHENG (US) 2015-08-13 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-20150225343-A1 NOVEL DERIVATIVES OF DONEPEZIL ACHE, BCHE, HNMT KDM4E 893/4885ALDH1A1 324/4885HPGD 484/4885

“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.