SCHEMBL4810481

SCHEMBL4810481

O=C(Cl)C1(c2ccc(-c3ccccc3)cc2)CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.55
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
HSD11B1 P28845 3/20 0.43
HTT P42858 1/20 0.43
FASN P49327 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL19335085 0.89 AKR1C1 (0.68) AKR1C1HDAC4HDAC1MEN1KMT2A
SCHEMBL19249604 0.89 AKR1C1 (0.68) AKR1C1HDAC4HDAC1MEN1KMT2A
SCHEMBL1061631 0.89 AKR1C1 (0.68) AKR1C1HDAC4HDAC1MEN1KMT2A
SCHEMBL19335064 0.89 AKR1C1 (0.68) AKR1C1HDAC4HDAC1MEN1KMT2A
SCHEMBL6349290 0.87 AKR1C1 (0.70) AKR1C1HDAC4HDAC1MEN1KMT2A
SCHEMBL4808999 0.86 AKR1C1 (0.75) AKR1C1HDAC4HDAC1MEN1KMT2A
SCHEMBL248544 0.83 AKR1C1 (0.64) AKR1C1HDAC4HDAC1MEN1KMT2A
SCHEMBL4817363 0.81 AKR1C1 (0.47) AKR1C1HDAC4HDAC1MEN1KMT2A
SCHEMBL4805246 0.80 HDAC4 (0.64) AKR1C1HDAC4HDAC1SLC6A4SLC6A3
SCHEMBL844697 0.79 AKR1C1 (0.57) AKR1C1HDAC4HDAC1MEN1KMT2A

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-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
US-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2006-03-16 US disclosed
EP-1583736-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-10-12 EP disclosed
WO-2004065354-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-08-05 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-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 AKR1C1 211/4885HDAC4 9/4885HDAC1 1/4885

“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.