SCHEMBL5136280

SCHEMBL5136280

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)CC(=O)OCC(C)(C)CO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.45
LMNA P02545 3/20 0.42
ZDHHC7 Q9NXF8 1/20 0.38
RECQL P46063 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
GPR84 Q9NQS5 6/20 0.37
CA2 P00918 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
BIRC2 Q13490 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5137815 1.00 TLR4 (0.45) TLR4LMNAZDHHC7RECQLPRSS1
SCHEMBL5136152 1.00 TLR4 (0.45) TLR4LMNAZDHHC7RECQLPRSS1
SCHEMBL5137704 1.00 TLR4 (0.45) TLR4LMNAZDHHC7RECQLPRSS1
SCHEMBL30420262 0.88 TLR4 (0.41) TLR4LMNAZDHHC7RECQLPRSS1
SCHEMBL5138614 0.88 TLR4 (0.47) TLR4LMNAZDHHC7RECQLPRSS1
SCHEMBL5137808 0.88 TLR4 (0.47) TLR4LMNAZDHHC7RECQLPRSS1
SCHEMBL5136406 0.88 TLR4 (0.47) TLR4LMNAZDHHC7RECQLPRSS1
SCHEMBL5136404 0.88 TLR4 (0.47) TLR4LMNAZDHHC7RECQLPRSS1
SCHEMBL5075477 0.86 TLR4 (0.48) TLR4LMNAZDHHC7RECQLPRSS1
SCHEMBL5074132 0.86 TLR4 (0.48) TLR4LMNAZDHHC7RECQLPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402610-B2 Carbonyl compound containing long-chain branched alkyl group IDEMITSU KOSAN CO., LTD. (JP) 2008-07-22 US disclosed
US-20070282123-A1 Carbonyl Compound Containing Long-Chain Branched Alkyl Group IDEMITSU KOSAN CO., LTD (JP) 2007-12-06 US disclosed
EP-1710225-A1 CARBONYL COMPOUND CONTAINING LONG-CHAIN BRANCHED ALKYL GROUP IDEMITSU KOSAN CO., LTD. (JP) 2006-10-11 EP 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-20070282123-A1 Carbonyl Compound Containing Long-Chain Branched Alkyl Group HSD17B12, ALOX15, LSS TLR4 861/4885LMNA 273/4885ZDHHC7 685/4885

“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.