SCHEMBL4811086

SCHEMBL4811086

O=C(Cl)C1(c2ccc(F)cc2Cl)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.47
P2RX7 Q99572 2/20 0.47
ALDH1A1 P00352 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HSD11B1 P28845 2/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.37
OPRL1 P41146 1/20 0.36
DPP4 P27487 1/20 0.36
PITRM1 Q5JRX3 1/20 0.36

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
SCHEMBL986965 0.88 HDAC4 (0.47) HDAC4P2RX7ALDH1A1HDAC3HDAC1
SCHEMBL3188765 0.86 HDAC4 (0.48) HDAC4P2RX7ALDH1A1HDAC3HDAC1
SCHEMBL16220556 0.84 HDAC4 (0.50) HDAC4P2RX7ALDH1A1HDAC3HDAC1
SCHEMBL18742410 0.81 P2RX7 (0.44) HDAC4P2RX7ALDH1A1HDAC3HDAC1
SCHEMBL2790870 0.79 HDAC3 (0.44) HDAC4P2RX7ALDH1A1HDAC3HDAC1
SCHEMBL4809604 0.75 HSD11B1 (0.51) HDAC4P2RX7ALDH1A1HDAC1HSD11B1
SCHEMBL134852 0.75 ALDH1A1 (0.47) P2RX7ALDH1A1SLC6A4SLC6A3
SCHEMBL4831354 0.73 ELOVL1 (0.43) HDAC4PSEN1PSEN2APH1BNCSTN
SCHEMBL4805485 0.73 HDAC4 (0.63) HDAC4P2RX7ALDH1A1PSEN1PSEN2
SCHEMBL4811216 0.73 P2RX7 (0.48) HDAC4P2RX7ALDH1A1HDAC3HDAC1

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 HDAC4 9/4885P2RX7 4166/4885ALDH1A1 1211/4885

“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.