SCHEMBL4837091

SCHEMBL4837091

FC(F)(F)C1CCN(c2cc3ccccc3o2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 4/20 0.42
ATM Q13315 1/20 0.42
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
CHRM5 P08912 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
XRCC6 P12956 1/20 0.38
XRCC5 P13010 1/20 0.38
ACE P12821 1/20 0.38
ECE1 P42892 1/20 0.38
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL27581467 0.77 PRKDC (0.50) PRKDCATMCHRNB2CHRNA4XRCC6
SCHEMBL3512413 0.76 ALDH1A1 (0.51) PRKDCATMCHRNB2CHRNA4XRCC6
SCHEMBL16470017 0.74 PRKDC (0.67) PRKDCATMXRCC6XRCC5ACE
SCHEMBL3237749 0.73 BCHE (0.49) PRKDCATMXRCC6XRCC5ACE
SCHEMBL20581416 0.73 PRKDC (0.52) PRKDCATMCHRM2CHRM4CHRM5
SCHEMBL21047713 0.72 PRKDC (0.52) PRKDCATMXRCC6XRCC5ACE
SCHEMBL3511781 0.71 PRKDC (0.44) PRKDCATMCHRM2CHRM4CHRM5
SCHEMBL6390592 0.69 CHRNB2 (0.48) PRKDCATMCHRNB2CHRNA4BCHE
SCHEMBL7755392 0.69 MBTD1 (0.52) CHRNB2CHRNA4
SCHEMBL11147699 0.68 HTR2B (0.69) BCHEACHE

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-7368476-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2008-05-06 US disclosed
US-20050227976-A1 Novel hydroxamates as therapeutic agents AXYS PHARMACEUTICALS, INC. (US) 2005-10-13 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-20050227976-A1 Novel hydroxamates as therapeutic agents HDAC1, HDAC5, HDAC10 PRKDC 2774/4885ATM 2963/4885CHRM2 4593/4885

“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.