SCHEMBL317662

SCHEMBL317662

COc1ccc(C2C(=O)c3c(O)cc(OC)cc3C3CCCC32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CBS P35520 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP19A1 P11511 1/20 0.39
TAS2R31 P59538 1/20 0.39
ESR2 Q92731 3/20 0.38
ESR1 P03372 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL10109151 1.00 MAPT (0.41) MAPTPOLBKMT2AMEN1THRB
SCHEMBL10109212 0.98 MAPT (0.41) MAPTPOLBKMT2AMEN1THRB
SCHEMBL317629 0.98 MAPT (0.41) MAPTPOLBKMT2AMEN1THRB
SCHEMBL318171 0.87 MAP2K3 (0.40) KMT2AMEN1CYP1A2ALDH1A1ESR2
SCHEMBL10108879 0.87 MAP2K3 (0.40) KMT2AMEN1CYP1A2ALDH1A1ESR2
SCHEMBL10109207 0.85 MAP2K3 (0.40) KMT2AMEN1CYP1A2ALDH1A1ESR2
SCHEMBL317977 0.85 MAP2K3 (0.40) KMT2AMEN1CYP1A2ALDH1A1ESR2
SCHEMBL319627 0.81 ESR2 (0.49) MAPTALDH1A1CYP19A1ESR2ALOX15
SCHEMBL10108855 0.81 ESR2 (0.49) MAPTALDH1A1CYP19A1ESR2ALOX15
SCHEMBL10108815 0.78 ESR2 (0.49) MAPTKMT2AALDH1A1CYP19A1ESR2

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 2 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

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 MAPT 224/4885POLB 2196/4885KMT2A 2706/4885

“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.