SCHEMBL4813835

SCHEMBL4813835

CC(C)OC(=O)c1ccc(C2(C(=O)OC(C)(C)C)CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
CA7 P43166 3/20 0.44
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4809825 0.85 SMN1; SMN2 (0.43) CA12CA1CA2CA9CA14
SCHEMBL4813763 0.82 CHRM3 (0.41) APOBEC3AAPOBEC3GMAPTLMNAALDH1A1
SCHEMBL4804658 0.82 AKR1C1 (0.51) CA12CA1CA2CA9CA14
SCHEMBL4808264 0.81 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL21874134 0.80 MAPT (0.44) APOBEC3AAPOBEC3GSMN1; SMN2MAPTALDH1A1
SCHEMBL29510677 0.79 MLYCD (0.42) APOBEC3AAPOBEC3GSMN1; SMN2MAPTLMNA
SCHEMBL29510625 0.78 HDAC1 (0.45) APOBEC3AAPOBEC3GSMN1; SMN2LMNAALDH1A1
SCHEMBL7613755 0.78 ALDH1A1 (0.48) APOBEC3AAPOBEC3GSMN1; SMN2MAPTALDH1A1
SCHEMBL4815384 0.77 HDAC1 (0.46) SMN1; SMN2MAPTLMNAALDH1A1NPC1
SCHEMBL21874216 0.77 KMT2A (0.49) APOBEC3AAPOBEC3GSMN1; SMN2MAPTLMNA

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-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
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 CA12 379/4885CA1 151/4885CA2 137/4885

“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.