SCHEMBL2813142

SCHEMBL2813142

C=CC=C(C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
AKR1C3 P42330 1/20 0.51
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
PKM P14618 1/20 0.47
MAPT P10636 2/20 0.47
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
PLK1 P53350 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HSPD1 P10809 1/20 0.44
TNFRSF1A P19438 1/20 0.44
MAOB P27338 1/20 0.44
HSPE1 P61604 1/20 0.44

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
SCHEMBL2813135 1.00 CA1 (0.53) CA1CA2AKR1C3CES2CES1
SCHEMBL10399151 0.85 CA1 (0.55) CA1CA2CES2CES1PKM
SCHEMBL10399155 0.85 CA1 (0.55) CA1CA2CES2CES1PKM
SCHEMBL8552071 0.84 CA1 (0.55) CA1CA2AKR1C3CES2CES1
SCHEMBL8552065 0.84 CA1 (0.55) CA1CA2AKR1C3CES2CES1
SCHEMBL8895115 0.82 CA1 (0.61) CA1CA2AKR1C3CES2CES1
SCHEMBL10398945 0.81 MEN1 (0.57) CES2CES1PARP1ALDH1A1MEN1
SCHEMBL10398946 0.81 MEN1 (0.57) CES2CES1PARP1ALDH1A1MEN1
SCHEMBL10532164 0.80 ALDH1A1 (0.48) AKR1C3CES2CES1PKMMAPT
SCHEMBL10532153 0.80 ALDH1A1 (0.48) AKR1C3CES2CES1PKMMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2010-09-30 US disclosed
US-7569724-B2 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-08-04 US disclosed
EP-2083005-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2009-07-29 EP disclosed
EP-1598067-B1 Carbamic acid compounds comprising an amide linkage for the treatment of malaria TOPOTARGET UK LTD (GB) 2009-05-06 EP disclosed
EP-1335898-B1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2005-11-23 EP disclosed
EP-1598067-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2005-11-23 EP disclosed
US-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2004-05-13 US disclosed
EP-1335898-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS Prolifix Limited (GB) 2003-08-20 EP disclosed
WO-2002026696-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-04 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-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors HDAC1, HDAC11, HDAC3 CA1 281/4885CA2 386/4885AKR1C3 225/4885
US-20100249197-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN AMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 CA1 230/4885CA2 355/4885AKR1C3 346/4885

“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.