SCHEMBL3368136

SCHEMBL3368136

C1=COC(c2cccc(CC3CC3)c2)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.37
CCR3 P51677 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IDO1 P14902 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EED O75530 1/20 0.33
PRMT3 O60678 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32

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
SCHEMBL189832 0.77 TRPA1 (0.38) ALDH1A1
SCHEMBL50479 0.77 TSHR (0.38)
SCHEMBL5311499 0.77 CHRNB4 (0.43)
SCHEMBL9950597 0.76 SMN1; SMN2 (0.35) GBA1ALDH1A1HTTIDO1HTR1A
SCHEMBL9949997 0.76 SMN1; SMN2 (0.38) GBA1ALDH1A1HTTIDO1HTR1A
SCHEMBL9949859 0.76 SMN1; SMN2 (0.36) GBA1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL9949723 0.74 ALDH1A1 (0.36) ALDH1A1MAPTHTTHTR1ASLC6A4
SCHEMBL2655669 0.74 TDP1 (0.42)
SCHEMBL6934088 0.74 DRD2 (0.44)
SCHEMBL983385 0.73 TLR4 (0.45) ALDH1A1SLC6A4SMN1; SMN2

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 GBA1 2423/4885CCR3 336/4885KDM4E 2341/4885

“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.