SCHEMBL2995202

SCHEMBL2995202

CC(C)CCc1ccc2c(c1)OCCCO2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
CYP2D6 P10635 2/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL8294114 0.86 TAAR1 (0.61) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL565564 0.84 TAAR1 (0.48) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL12775573 0.83 TAAR1 (0.56) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL9959103 0.82 TAAR1 (0.44) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL20382761 0.82 TAAR1 (0.44) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL29449712 0.81 TAAR1 (0.49) TAAR1CYP2D6LMNAGAAHPGD
SCHEMBL14103267 0.81 TAAR1 (0.49) TAAR1CYP2D6LMNAGAAHPGD
SCHEMBL180328 0.81 TAAR1 (0.43) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL23731783 0.80 TMEM97 (0.50) CYP2D6
SCHEMBL5018909 0.79 TAAR1 (0.59) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3149135-A2 PERFUME COMPOSITIONS Givaudan S.A. (CH) 2017-04-05 EP claimed
WO-2015181257-A2 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2015-12-03 WO claimed
US-8344023-B2 2,5-di- and 2,2,5-trisubstituted di- and tetrahydrofuran derivatives and their use for the production of perfumes GIVAUDAN SA (CH) 2013-01-01 US disclosed
US-20100173999-A1 2,5-DI- and 2,2,5-Trisubstituted Di- and Tetrahydrofuran Derivatives and Their Use for the Production of Perfumes GIVAUDAN SA (CH) 2010-07-08 US 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-20100173999-A1 2,5-DI- and 2,2,5-Trisubstituted Di- and Tetrahydrofuran Derivatives and Their Use for the Production of Perfumes COXFA4, DUOX2, DRD5 TAAR1 2459/4885SLC6A2 4560/4885SLC6A4 1566/4885

“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.