SCHEMBL3367257

SCHEMBL3367257

COc1ccc(C(=O)C2CCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.77
RAB9A P51151 2/20 0.77
POLB P06746 1/20 0.67
ALDH1A1 P00352 4/20 0.60
LMNA P02545 3/20 0.60
KDM2B Q8NHM5 4/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
HSD11B1 P28845 1/20 0.58
MGLL Q99685 1/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
CHRM2 P08172 3/20 0.56
CHRM4 P08173 3/20 0.56
CHRM1 P11229 3/20 0.56
CHRM3 P20309 3/20 0.56
GAA P10253 1/20 0.56
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54

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
SCHEMBL9136904 0.96 NPC1 (0.77) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL4611341 0.95 NPC1 (0.75) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL9135757 0.95 NPC1 (0.75) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL5350428 0.92 NPC1 (0.89) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL1148371 0.92 NPC1 (0.89) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL5350433 0.92 NPC1 (0.89) NPC1RAB9APOLBALDH1A1LMNA
Bicarbonate SCHEMBL11475731 0.89 NPC1 (0.83) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL16861595 0.84 NPC1 (0.71) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL4675008 0.84 NPC1 (0.71) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL230405 0.84 NPC1 (0.71) NPC1RAB9APOLBALDH1A1LMNA

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
EP-1401388-B1 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2010-06-16 EP disclosed
US-7704942-B2 Fragrance and flavour compositions GIVAUDAN SA (CH) 2010-04-27 US disclosed
US-20050042255-A1 Fragrance and flavour compositions GIVAUDAN SA (CH) 2005-02-24 US disclosed
EP-1401388-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS Givaudan SA (CH) 2004-03-31 EP disclosed
WO-2003002084-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2003-01-09 WO disclosed
EP-1269982-A1 Fragrance and flavour compositions Givaudan SA (CH) 2003-01-02 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-20050042255-A1 Fragrance and flavour compositions C5, FAAH2, TRPA1 NPC1 2738/4885RAB9A 4044/4885POLB 3088/4885

“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.