SCHEMBL3357697

SCHEMBL3357697

CC(S)CCCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.58
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
LTA4H P09960 2/20 0.50
HTR1B P28222 2/20 0.50
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 1/20 0.47
HTR1D P28221 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
SCHEMBL21096683 0.90 KCNA3 (0.54) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL7449489 0.83 KCNA3 (0.62) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL6748710 0.81 TDP1 (0.42) TDP1LTA4H
SCHEMBL28651210 0.80 KCNA3 (0.58) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL29173237 0.80 KCNA3 (0.58) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3357689 0.78 KCNA3 (0.56) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL22692744 0.78 KCNA3 (0.56) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL11580701 0.78 KCNA3 (0.67) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL20845612 0.77 HTT (0.49) TDP1HTR1BLMNAALDH1A1
SCHEMBL17286562 0.77 LTA4H (0.67) KCNA3TDP1LTA4HHPGD

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-7687482-B2 Bisphosphonate compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-30 US disclosed
EP-2001486-A2 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-12-17 EP disclosed
US-20070275931-A1 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-11-29 US disclosed
WO-2007109585-A2 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-09-27 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-20070275931-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FDPS, GGPS1, FNTB KCNA3 3366/4885HDAC3 4233/4885HDAC4 3587/4885

“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.