SCHEMBL7106880

SCHEMBL7106880

COc1cccc(C2=C(C(=O)c3ccc(OCCBr)cc3)c3ccc(OC)cc3CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.51
ESR2 Q92731 3/20 0.51
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NPC1 O15118 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARD Q03181 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL7110416 0.95 ESR1 (0.51) ESR1ESR2EBPSIGMAR1FFAR1
SCHEMBL7109898 0.93 ESR1 (0.51) ESR1ESR2EBPSIGMAR1MAPT
SCHEMBL3861641 0.91 ESR1 (0.55) ESR1ESR2EBPSIGMAR1NPC1
SCHEMBL7111266 0.89 ESR1 (0.47) ESR1ESR2NPC1MAPTRAB9A
SCHEMBL7110414 0.86 ESR1 (0.71) ESR1ESR2EBPSIGMAR1DRD2
SCHEMBL7111025 0.86 ESR1 (0.47) ESR1ESR2EBPSIGMAR1FFAR1
SCHEMBL7105874 0.86 ESR1 (0.44) ESR1ESR2EBPSIGMAR1NPC1
SCHEMBL7108932 0.86 ESR1 (0.52) ESR1ESR2NPC1MAPTRAB9A
SCHEMBL7112981 0.85 ESR1 (0.47) ESR1ESR2EBPSIGMAR1NPC1
SCHEMBL7105763 0.85 ESR1 (0.72) ESR1ESR2EBPSIGMAR1DRD2

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 2130/4885EBP 1842/4885

“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.