SCHEMBL318689

SCHEMBL318689

COC(=O)c1cc(O)cc2c1CC(c1ccc(O)cc1)C1CCCCC21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.42
ESR1 P03372 10/20 0.42
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL10109527 1.00 ESR2 (0.42) ESR2ESR1CA12CA1CA2
SCHEMBL10109499 0.98 ESR2 (0.44) ESR2ESR1CA12CA1CA2
SCHEMBL318484 0.98 ESR2 (0.44) ESR2ESR1CA12CA1CA2
SCHEMBL318714 0.85 ESR2 (0.43) ESR2ESR1KDM4E
SCHEMBL10109542 0.85 ESR2 (0.43) ESR2ESR1KDM4E
SCHEMBL10109501 0.83 ESR1 (0.44) ESR2ESR1
SCHEMBL318466 0.83 ESR1 (0.44) ESR2ESR1
SCHEMBL318636 0.83 KDM4E (0.40) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL10109235 0.83 KDM4E (0.40) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL319574 0.81 KDM4E (0.40) CA1CA2KDM4EHPGD

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 ESR2 1/4885ESR1 6/4885CA12 4325/4885

“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.