SCHEMBL4809604

SCHEMBL4809604

O=C(Cl)C1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.51
HDAC1 Q13547 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HDAC4 P56524 2/20 0.45
SLC6A3 Q01959 1/20 0.44
AKR1C1 Q04828 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
P2RX7 Q99572 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL28577323 0.98 HSD11B1 (0.50) HSD11B1HDAC1ALDH1A1HDAC4SLC6A3
SCHEMBL29275065 0.94 HSD11B1 (0.47) HSD11B1HDAC1ALDH1A1HDAC4AKR1C1
SCHEMBL17508231 0.90 HSD11B1 (0.46) HSD11B1HDAC1ALDH1A1
SCHEMBL4805246 0.83 HDAC4 (0.64) HSD11B1HDAC1ALDH1A1HDAC4SLC6A3
SCHEMBL1807150 0.83 AKR1C1 (0.66) HSD11B1HDAC1ALDH1A1HDAC4SLC6A3
SCHEMBL4810246 0.81 MAPT (0.47) HSD11B1ALDH1A1HDAC4AKR1C1LMNA
SCHEMBL4804303 0.81 HDAC1 (0.51) HSD11B1HDAC1ALDH1A1HDAC4AKR1C1
SCHEMBL3842811 0.81 LMNA (0.55) HSD11B1HDAC1ALDH1A1HDAC4SLC6A3
SCHEMBL11044295 0.81 HSD11B1 (0.52) HSD11B1HDAC1ALDH1A1HDAC4SLC6A3
SCHEMBL1061631 0.81 AKR1C1 (0.68) HSD11B1HDAC1ALDH1A1HDAC4AKR1C1

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 6 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-20060276505-A1 Acylhydrazine P2X7 antagonists and uses thereof ABBOTT LABORATORIES 2006-12-07 US disclosed
WO-2006110516-A1 ACYLHYDRAZIDE P2X7 ANTAGONISTS AND USES THEREOF ABBOTT LABORATORIES (US) 2006-10-19 WO 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 (2 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 HSD11B1 591/4885HDAC1 1/4885ALDH1A1 1211/4885
US-20060276505-A1 Acylhydrazine P2X7 antagonists and uses thereof P2RX7, P2RX3, P2RX1 HSD11B1 3076/4885HDAC1 670/4885ALDH1A1 1492/4885

“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.