SCHEMBL7112744

SCHEMBL7112744

COc1cc(C2=C(C(=O)c3ccc(O)cc3)c3ccccc3CC2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 4/20 0.38
GFER P55789 1/20 0.38
HSD11B1 P28845 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 3/20 0.37
ALOX12 P18054 2/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36

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
SCHEMBL7942846 0.84 ESR1 (0.51) ESR1ESR2MAPTSMN1; SMN2RAB9A
SCHEMBL7945783 0.83 ESR2 (0.50) ESR1ESR2MAPTSMN1; SMN2RAB9A
SCHEMBL7107864 0.81 ALDH1A1 (0.40) ESR1ESR2MAPTSMN1; SMN2RAB9A
SCHEMBL7945769 0.80 ESR1 (0.53) ESR1ESR2MAPTSMN1; SMN2RAB9A
SCHEMBL7107472 0.80 ESR1 (0.52) ESR1ESR2MAPTSMN1; SMN2RAB9A
SCHEMBL7942835 0.79 ALDH1A1 (0.46) ESR1ESR2MAPTSMN1; SMN2RAB9A
SCHEMBL7111478 0.78 ESR1 (0.45) ESR1ESR2MAPTSMN1; SMN2RAB9A
SCHEMBL9056785 0.77 ESR1 (0.56) ESR1ESR2MAPTSMN1; SMN2RAB9A
SCHEMBL7106199 0.76 ESR1 (0.44) ESR1ESR2MAPTSMN1; SMN2RAB9A
SCHEMBL3861662 0.76 ESR1 (0.60) ESR1ESR2MAPTSMN1; SMN2RAB9A

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-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS ELI LILLY AND COMPANY 2003-05-29 US disclosed
US-5958916-A FOR INHIBITING BONE LOSS OR BONE RESORPTION ELI LILLY AND COMPANY (US) 1999-09-28 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-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS NDC1, SQLE, NQO1 ESR1 1044/4885ESR2 2130/4885MAPT 526/4885

“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.