SCHEMBL2013238

SCHEMBL2013238

CCCCCCc1c(F)c(F)c(F)c(CCCCCC)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
HCAR2 Q8TDS4 2/20 0.42
PLK1 P53350 2/20 0.42
GPR35 Q9HC97 4/20 0.41
RARB P10826 2/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
SCD O00767 1/20 0.41
PLK3 Q9H4B4 1/20 0.40

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
SCHEMBL7654179 0.95 BID (0.44) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL7653867 0.95 BID (0.44) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL7863490 0.93 HCAR2 (0.42) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL29927198 0.87 HCAR2 (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL7855513 0.87 HCAR2 (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5588159 0.86 BID (0.44) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5589999 0.86 BID (0.44) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5589378 0.86 BID (0.44) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5589987 0.86 BID (0.44) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL5588795 0.86 BID (0.44) BIDMCL1BCL2L1BAK1KAT8

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-9745252-B2 Cross-linking moiety NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-08-29 US disclosed
US-9745252-B2 Cross-linking moiety NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-08-29 US disclosed
EP-2507309-A1 A CROSS-LINKING MOIETY National University of Singapore (SG) 2012-10-10 EP disclosed
US-20120244294-A1 CROSS-LINKING MOIETY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-09-27 US disclosed
US-20120244294-A1 CROSS-LINKING MOIETY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-09-27 US disclosed
WO-2011068482-A1 A CROSS-LINKING MOIETY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2011-06-09 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-20120244294-A1 CROSS-LINKING MOIETY ARF1, ARF6, ARF4 BID 3633/4885MCL1 376/4885BCL2L1 1655/4885

“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.