SCHEMBL4440798

SCHEMBL4440798

Cc1ccc(CC(C)CCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.41
SLC6A2 P23975 2/20 0.41
TRPA1 O75762 2/20 0.40
ACACB O00763 1/20 0.39
IDO1 P14902 1/20 0.38
HPGD P15428 1/20 0.37
SLC6A3 Q01959 1/20 0.36
HCRTR2 O43614 1/20 0.36
GBA1 P04062 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL10206049 0.83 TRPA1 (0.44) TAAR1SLC6A2TRPA1ACACBIDO1
SCHEMBL12197642 0.83 TRPA1 (0.44) TAAR1SLC6A2TRPA1ACACBIDO1
SCHEMBL8293621 0.83 TRPA1 (0.44) TAAR1SLC6A2TRPA1ACACBIDO1
SCHEMBL5728691 0.82 ACACB (0.41) TAAR1SLC6A2TRPA1ACACB
SCHEMBL11573486 0.82 CYP1A2 (0.48) TAAR1SLC6A2TRPA1SLC6A3CYP1A2
SCHEMBL13643094 0.82 ACACB (0.41) TAAR1SLC6A2TRPA1ACACB
SCHEMBL13003087 0.81 TAAR1 (0.56) TAAR1SLC6A2TRPA1SLC6A3CYP1A2
SCHEMBL27590846 0.81 TAAR1 (0.56) TAAR1SLC6A2TRPA1SLC6A3CYP1A2
SCHEMBL6817767 0.78 BDKRB2 (0.44) TAAR1ACACBIDO1HPGDCYP1A2
SCHEMBL5728985 0.77 CYP2A6 (0.47) TAAR1SLC6A2ACACBIDO1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7525001-B2 Process for preparation of 2,6-dialkyltetralin SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-04-28 US disclosed
US-7525001-B2 Process for preparation of 2,6-dialkyltetralin SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-04-28 US disclosed
US-7525001-B2 Process for preparation of 2,6-dialkyltetralin SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-04-28 US disclosed
US-20060020153-A1 Novel process for preparation of 2,6-dialkyltetralin SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION 2006-01-26 US disclosed
WO-2006009346-A2 NOVEL PROCESS FOR PREPARATION OF 2,6-DIALKYLTETRALIN SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2006-01-26 WO 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-20060020153-A1 Novel process for preparation of 2,6-dialkyltetralin DDT, MVD, DNPH1 TAAR1 2897/4885SLC6A2 2270/4885TRPA1 2433/4885

“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.