SCHEMBL3367622

SCHEMBL3367622

COc1ccc(CC2CCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
HTT P42858 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
IDO1 P14902 1/20 0.47

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
SCHEMBL3365060 0.96 LTA4H (0.51) LTA4HHTTIDO1
SCHEMBL6628369 0.94 LTA4H (0.54) LTA4HHTT
SCHEMBL622656 0.92 IDO1 (0.50) IDO1
Ammonia Solution, Strong SCHEMBL8172708 0.90 IDO1 (0.48) IDO1
SCHEMBL13504115 0.85 OPRK1 (0.51)
SCHEMBL3964389 0.83 CYP19A1 (0.47)
SCHEMBL3155613 0.83 TDP1 (0.63)
SCHEMBL9340622 0.83 SMN1; SMN2 (0.51)
SCHEMBL22023702 0.83 HRH3 (0.52)
SCHEMBL5527859 0.83 TAAR1 (0.48) IDO1

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 12 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 claimed
US-20050042255-A1 Fragrance and flavour compositions GIVAUDAN SA (CH) 2005-02-24 US claimed
EP-1401388-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS Givaudan SA (CH) 2004-03-31 EP claimed
WO-2003002084-A2 FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2003-01-09 WO claimed
EP-1269982-A1 Fragrance and flavour compositions Givaudan SA (CH) 2003-01-02 EP claimed
US-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF Shenzhen Bay Laboratory (CN) 2023-05-25 US disclosed
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 (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-20230157996-A1 SMALL-MOLECULE INHIBITOR TARGETING EB VIRUS NUCLEAR ANTIGEN PROTEIN, PREPARATION METHOD AND USE THEREOF SSB, EBNA1BP2, PML LTA4H 2678/4885HTT 3116/4885SIGMAR1 4403/4885
US-20050042255-A1 Fragrance and flavour compositions C5, FAAH2, TRPA1 LTA4H 99/4885HTT 2813/4885SIGMAR1 707/4885

“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.