SCHEMBL313675

SCHEMBL313675

C/C=C/C(=O)C1=C(CC(C)C)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSTP1 P09211 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
SCHEMBL313676 1.00 MEN1 (0.32) MEN1NPC1ALDH1A1POLBRAB9A
SCHEMBL4733019 0.81 THRA (0.35) GSTP1
SCHEMBL4733020 0.81 THRA (0.35) GSTP1
SCHEMBL4734419 0.79 THRA (0.34) GSTP1
SCHEMBL4734422 0.79 THRA (0.34) GSTP1
SCHEMBL3632525 0.75
SCHEMBL18043858 0.72 CHRM1 (0.37) MEN1NPC1ALDH1A1POLBRAB9A
SCHEMBL3401363 0.71 GSTP1 (0.33) GSTP1
SCHEMBL3401365 0.71 GSTP1 (0.33) GSTP1
SCHEMBL10818144 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155844-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2012-11-21 EP disclosed
US-8278230-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2012-10-02 US disclosed
US-8093204-B2 Organic compounds GIVAUDAN SA (CH) 2012-01-10 US disclosed
US-20110086793-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2011-04-14 US disclosed
EP-2155644-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-17 EP disclosed
EP-2155644-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-17 EP disclosed
US-20100173821-A1 Organic Compounds GIVAUDAN SA (CH) 2010-07-08 US disclosed
US-20100173821-A1 Organic Compounds GIVAUDAN SA (CH) 2010-07-08 US disclosed
EP-2155844-A2 PERFUME SYSTEMS The Procter and Gamble Company (US) 2010-02-24 EP disclosed
EP-2155644-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-02-24 EP disclosed
EP-2155644-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2010-02-24 EP disclosed
US-20080305977-A1 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2008-12-11 US disclosed
WO-2008148235-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-12-11 WO disclosed
WO-2008148235-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-12-11 WO disclosed
WO-2008151273-A2 PERFUME SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 2008-12-11 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 (3 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-20110086793-A1 PERFUME SYSTEMS PAOX, PLIN5, PFKFB2 MEN1 4590/4885NPC1 2544/4885ALDH1A1 2656/4885
US-20100173821-A1 Organic Compounds TRPA1, CYP1B1, TRPV1 MEN1 2514/4885NPC1 500/4885ALDH1A1 14/4885
US-20080305977-A1 PERFUME SYSTEMS PAOX, PLIN5, PFKFB2 MEN1 4590/4885NPC1 2544/4885ALDH1A1 2656/4885

“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.