SCHEMBL10109217

SCHEMBL10109217

COc1ccc(C2C(O)c3c(O)cc(OC)cc3[C@@H]3CCCC[C@H]23)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
RECQL P46063 1/20 0.37
ESR1 P03372 5/20 0.36
ESR2 Q92731 5/20 0.36
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
KDM1A O60341 1/20 0.35
CYP19A1 P11511 3/20 0.34
CYP11B1 P15538 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL317966 1.00 POLB (0.37) POLBKMT2ARECQLESR1ESR2
SCHEMBL10108891 0.86 MAP2K3 (0.40) KMT2AESR1ESR2NOS3NOS1
SCHEMBL318057 0.86 MAP2K3 (0.40) KMT2AESR1ESR2NOS3NOS1
SCHEMBL10109008 0.83 NOS3 (0.41) ESR1NOS3NOS1NOS2KDM1A
SCHEMBL318621 0.83 NOS3 (0.41) ESR1NOS3NOS1NOS2KDM1A
SCHEMBL318060 0.83 NOS3 (0.41) NOS3NOS1NOS2KDM1ACYP19A1
SCHEMBL10108818 0.83 NOS3 (0.41) NOS3NOS1NOS2KDM1ACYP19A1
SCHEMBL10108851 0.80 NOS3 (0.44) KMT2AESR1ESR2NOS3NOS1
SCHEMBL318167 0.80 NOS3 (0.44) KMT2AESR1ESR2NOS3NOS1
SCHEMBL10109225 0.76 ESR1 (0.38) POLBKMT2ARECQLESR1ESR2

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-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
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 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-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG POLB 2196/4885KMT2A 2706/4885RECQL 4462/4885

“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.