SCHEMBL964705

SCHEMBL964705

O=C(O)C=Cc1sccc1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
RORB Q92753 1/20 0.47
HCAR2 Q8TDS4 2/20 0.41
BACE1 P56817 1/20 0.40
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CA1 P00915 1/20 0.38

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
SCHEMBL964704 1.00 RORC (0.47) RORCRORBHCAR2BACE1MCL1
SCHEMBL964695 0.81 TTR (0.43) RORCRORBCA1CA2KDM4E
SCHEMBL28511385 0.79 BCAT2 (0.49) HCAR2BACE1HDAC8HDAC6HDAC3
SCHEMBL967386 0.79 RORC (0.47) RORCRORBMCL1ACMSDCA1
SCHEMBL10798889 0.77 BACE1 (0.60) HCAR2BACE1HDAC8HDAC6HDAC3
SCHEMBL964697 0.75 RORC (0.43) RORCRORBBACE1MCL1ACMSD
SCHEMBL964698 0.75 RORC (0.43) RORCRORBBACE1MCL1ACMSD
SCHEMBL28910605 0.74 RORC (0.63) RORCRORBMCL1ACMSDHDAC8
SCHEMBL966178 0.73 HDAC8 (0.38) RORCRORBBACE1HDAC8
SCHEMBL28305607 0.72 HCAR2 (0.46) HCAR2HDAC8HDAC6HDAC3TNKS

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 RORC 1507/4885RORB 1150/4885HCAR2 587/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG RORC 33/4885RORB 27/4885HCAR2 269/4885

“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.