SCHEMBL3365060

SCHEMBL3365060

COc1ccc(CC2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
EPHX2 P34913 2/20 0.49
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
SCHEMBL6628369 0.98 LTA4H (0.54) LTA4HHTTHRH3EPHX2
SCHEMBL3367622 0.96 LTA4H (0.48) LTA4HHTTIDO1
SCHEMBL622656 0.92 IDO1 (0.50) IDO1
Ammonia Solution, Strong SCHEMBL8172708 0.90 IDO1 (0.48) IDO1
SCHEMBL13504115 0.85 OPRK1 (0.51)
SCHEMBL5516474 0.83 CYP26A1 (0.47)
SCHEMBL3964389 0.83 CYP19A1 (0.47)
SCHEMBL9340622 0.83 SMN1; SMN2 (0.51)
SCHEMBL22023702 0.83 HRH3 (0.52) HRH3
SCHEMBL11465115 0.83 CYP26A1 (0.43) 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 14 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-20230398077-A1 SILICASOME NANOCARRIER FOR METAL-BASED DRUG DELIVERY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-12-14 US disclosed
US-10675300-B2 Group 3 metal compounds and use thereof in the treatment of solid tumors Università degli Studi di Salerno (IT) 2020-06-09 US disclosed
US-20190240254-A1 Group 3 Metal Compounds and Use Thereof in the Treatment of Solid Tumors Università degli Studi di Salerno (IT) 2019-08-08 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 (4 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 LTA4H 99/4885HTT 2813/4885HRH3 184/4885
US-20190240254-A1 Group 3 Metal Compounds and Use Thereof in the Treatment of Solid Tumors CA4, CA13, CA14 LTA4H 3723/4885HTT 4486/4885HRH3 2885/4885
US-20230398077-A1 SILICASOME NANOCARRIER FOR METAL-BASED DRUG DELIVERY CD47, SGMS1, ABCC1 LTA4H 4229/4885HTT 2129/4885HRH3 4718/4885
US-10675300-B2 Group 3 metal compounds and use thereof in the treatment of solid tumors CA4, CA13, CA14 LTA4H 3723/4885HTT 4486/4885HRH3 2885/4885

“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.