SCHEMBL318159

SCHEMBL318159

COc1ccccc1C1CCCCC1COS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2B P41595 1/20 0.45
HCRTR2 O43614 2/20 0.40
TSHR P16473 1/20 0.40
DRD2 P14416 1/20 0.39
FABP7 O15540 1/20 0.38
FABP3 P05413 1/20 0.38
FABP5 Q01469 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCOLN2 Q8IZK6 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
MCOLN1 Q9GZU1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL10108955 1.00 HTR2C (0.45) HTR2CHTR2AHTR2BHCRTR2TSHR
SCHEMBL317993 0.81 LMNA (0.43) MEN1KMT2A
SCHEMBL10109114 0.81 LMNA (0.43) MEN1KMT2A
SCHEMBL317304 0.77 HTR2C (0.51) HTR2CHTR2AHTR2BDRD2FABP7
SCHEMBL10108951 0.77 HTR2C (0.51) HTR2CHTR2AHTR2BDRD2FABP7
SCHEMBL10674865 0.77 HTR2C (0.48) HTR2CHTR2AHTR2BDRD2FABP7
SCHEMBL10108965 0.77 HTR2C (0.48) HTR2CHTR2AHTR2BDRD2FABP7
SCHEMBL316665 0.77 HTR2C (0.48) HTR2CHTR2AHTR2BDRD2FABP7
SCHEMBL10710538 0.76 FABP7 (0.47) HTR2CHTR2AHTR2BDRD2FABP7
SCHEMBL10108970 0.76 FABP7 (0.47) HTR2CHTR2AHTR2BDRD2FABP7

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
US-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 US disclosed
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG HTR2C 356/4885HTR2A 404/4885HTR2B 372/4885

“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.