SCHEMBL4611158

SCHEMBL4611158

Cc1ccc(C2(CCCOC(C)c3ccccc3)OCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
CHRNA7 P36544 1/20 0.32
UGCG Q16739 4/20 0.31
GBA2 Q9HCG7 4/20 0.31
GBA1 P04062 3/20 0.31
LCT P09848 3/20 0.31
MGAM O43451 2/20 0.31
SI P14410 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TACR1 P25103 2/20 0.31
ICMT O60725 1/20 0.31

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
SCHEMBL4611164 0.76 KCNH2 (0.42)
SCHEMBL21167279 0.70 DRD2 (0.44) ALDH1A1HPGDSMN1; SMN2
SCHEMBL11235787 0.70 MAOB (0.34) LMNA
SCHEMBL4613107 0.70 L3MBTL1 (0.33) LMNA
SCHEMBL11241311 0.69 L3MBTL1 (0.32) LMNA
SCHEMBL2084122 0.69 CNR1 (0.40)
SCHEMBL8066377 0.69 HRH1 (0.43) OPRL1SMN1; SMN2
SCHEMBL17818423 0.69 L3MBTL1 (0.35) OPRM1LMNA
SCHEMBL13067453 0.69 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL23964575 0.68 L3MBTL1 (0.35) ALDH1A1LMNASMN1; SMN2ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294671-B1 UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS FIRMENICH & CIE (CH) 2008-10-15 EP disclosed
US-6949680-B2 Ketones as precursors of active compounds FIRMENICH SA (CH) 2005-09-27 US disclosed
US-20030129212-A1 Ketones as precursors of active compounds FIRMENICH SA (CH) 2003-07-10 US disclosed
EP-1294671-A2 UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS FIRMENICH SA (CH) 2003-03-26 EP disclosed
WO-2001096272-A2 UTILISATION OF KETONES AS PRECURSORS OF ACTIVE COMPOUNDS FIRMENICH SA (CH) 2001-12-20 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-20030129212-A1 Ketones as precursors of active compounds PKN3, PKM, FPR3 OPRM1 277/4885OPRD1 241/4885OPRK1 212/4885

“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.