SCHEMBL6752121

SCHEMBL6752121

CCC(C)(CC)C(=O)OC1CCN(Cc2cc3c(cc2OC)Sc2nccnc2N3COC)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 7/20 0.35
POLB P06746 4/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL7149891 0.86 ALDH1A1 (0.35) ICAM1POLBALDH1A1TDP1KDM4E
SCHEMBL7149885 0.80 ICAM1 (0.53) ICAM1POLBALDH1A1KDM4EKMT2A
SCHEMBL6749892 0.68 ALDH1A1 (0.36) ALDH1A1TDP1KDM4E
SCHEMBL8315505 0.64 HDAC6 (0.45) POLBALDH1A1KMT2AMEN1
SCHEMBL8322460 0.63 ICAM1 (0.40) ICAM1KMT2AMEN1
SCHEMBL6857064 0.62 MAPT (0.43) ICAM1
SCHEMBL6747276 0.61 HDAC6 (0.42) ICAM1
SCHEMBL6749176 0.61 LMNA (0.47) POLBALDH1A1TDP1KDM4EKMT2A
SCHEMBL6745548 0.60 HDAC6 (0.36) ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6747666 0.60 KDM4E (0.40) ALDH1A1KDM4EKMT2A

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-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 ICAM1 412/4885POLB 2838/4885ALDH1A1 145/4885

“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.