SCHEMBL317877

SCHEMBL317877

COc1ccc(C2=Cc3cccc(OC)c3C3CCCCC23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.38
HCRTR2 O43614 6/20 0.38
ABCB1 P08183 1/20 0.36
BACE1 P56817 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
PDE4A P27815 3/20 0.34

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
SCHEMBL10108986 1.00 HCRTR1 (0.38) HCRTR1HCRTR2ABCB1BACE1TUBB4A
SCHEMBL10109142 0.78 PDE4A (0.35) HCRTR1HCRTR2BACE1TUBB4ATUBB
SCHEMBL317691 0.78 PDE4A (0.35) HCRTR1HCRTR2BACE1TUBB4ATUBB
SCHEMBL10109437 0.78 TP53 (0.36) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL317687 0.78 TP53 (0.36) BACE1PDE4APDE4BPDE4CPDE4D
SCHEMBL10109013 0.77 NOS3 (0.44) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL317866 0.77 NOS3 (0.44) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL317860 0.74 NOS3 (0.44) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL10108826 0.74 NOS3 (0.44) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL3639292 0.73 BACE1 (0.43) BACE1PDE4APDE4BPDE4CPDE4D

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 HCRTR1 1424/4885HCRTR2 1086/4885ABCB1 1502/4885

“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.