SCHEMBL5887627

SCHEMBL5887627

CC(C)(C)OC(=O)N1C(=O)C(Cc2ccc(F)cc2)CCC1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
CHRM4 P08173 1/20 0.42
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
S1PR5 Q9H228 1/20 0.41
NR4A2 P43354 1/20 0.40
PRMT5 O14744 1/20 0.40
LMNA P02545 1/20 0.40
KLK7 P49862 1/20 0.39
MAOB P27338 1/20 0.39
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL5966583 0.83 KLK7 (0.44) MEN1KMT2ALMNAKLK7
SCHEMBL5888451 0.80 YAP1 (0.47) YAP1MEN1KMT2AKDM4CNPC1
SCHEMBL5888448 0.80 YAP1 (0.47) YAP1MEN1KMT2AKDM4CNPC1
SCHEMBL6866096 0.75 MMP13 (0.44) YAP1MEN1KMT2APRMT5MAOB
SCHEMBL20734886 0.74 KLK7 (0.48) YAP1MEN1KMT2ALMNAKLK7
SCHEMBL22154819 0.74 KLK7 (0.39) MEN1KMT2APOLBKLK7
SCHEMBL13701096 0.73 YAP1 (0.47) YAP1PRMT5MAOB
SCHEMBL7701458 0.73 MMP13 (0.38) MEN1KMT2AKLK7
SCHEMBL13701121 0.72 YAP1 (0.43) YAP1PRMT5
SCHEMBL29997887 0.72 KLK7 (0.47) KMT2AKLK7

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-7026335-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE CO. (US) 2006-04-11 US disclosed
CN-1656070-A Melanocortin receptor ligands PROCTER & GAMBLE (US) 2005-08-17 CN disclosed
US-20050171158-A1 Melanocortin receptor ligands EBETINO FRANK H (US) 2005-08-04 US disclosed
US-20030236230-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-12-25 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-20050171158-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R YAP1 786/4885MEN1 430/4885KMT2A 383/4885
US-20030236230-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R YAP1 911/4885MEN1 464/4885KMT2A 297/4885

“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.