SCHEMBL3979958

SCHEMBL3979958

O=C(O)C=CC=Cc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NPY1R P25929 1/20 0.51
MAPK1 P28482 1/20 0.51
NPY2R P49146 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1B1 Q16678 1/20 0.51
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
RXRA P19793 1/20 0.47
SMPD2 O60906 2/20 0.47

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
SCHEMBL1233027 1.00 HDAC8 (0.57) HDAC8HDAC6MTNR1AMTNR1BALDH1A1
SCHEMBL600540 0.87 HDAC8 (0.67) HDAC8HDAC6MTNR1AMTNR1BALDH1A1
SCHEMBL2903467 0.87 HDAC8 (0.67) HDAC8HDAC6MTNR1AMTNR1BALDH1A1
SCHEMBL29404405 0.87 HDAC8 (0.67) HDAC8HDAC6MTNR1AMTNR1BALDH1A1
SCHEMBL79668 0.87 HDAC8 (0.67) HDAC8HDAC6MTNR1AMTNR1BALDH1A1
SCHEMBL29470165 0.87 HDAC8 (0.67) HDAC8HDAC6MTNR1AMTNR1BALDH1A1
Ethylene SCHEMBL28650882 0.84 HDAC8 (0.63) HDAC8HDAC6MTNR1AMTNR1BALDH1A1
SCHEMBL4626591 0.83 RXRA (0.57) HDAC8HDAC6MTNR1AMTNR1BALDH1A1
SCHEMBL4626594 0.83 RXRA (0.57) HDAC8HDAC6MTNR1AMTNR1BALDH1A1
SCHEMBL29399914 0.83 RXRA (0.57) HDAC8HDAC6MTNR1AMTNR1BALDH1A1

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-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
US-3975429-A Cyclopropanemethyl esters of cinnamic acid and derivatives thereof ZOECON CORPORATION (US) 1976-08-17 US 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-20040092598-A1 Carbamic acid compounds comprising an amide linkage as hdac inhibitors HDAC1, HDAC11, HDAC3 HDAC8 6/4885HDAC6 11/4885MTNR1A 878/4885

“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.