SCHEMBL7110616

SCHEMBL7110616

COc1cccc(C2=C(C(=O)c3ccc(OCCN4CCCCC4)cc3)c3ccc(O)cc3CC2)c1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.81
ESR2 Q92731 14/20 0.81
EBP Q15125 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
PSMB1 P20618 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB2 P49721 1/20 0.48

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
SCHEMBL7105763 0.95 ESR1 (0.72) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7111259 0.94 ESR1 (0.77) ESR1ESR2EBPSIGMAR1PSMB1
Hydrochloric Acid SCHEMBL7153807 0.94 ESR1 (0.71) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7110414 0.94 ESR1 (0.71) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7108582 0.92 ESR1 (0.88) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7111413 0.92 ESR1 (0.86) ESR1ESR2PSMB1PSMB5PSMB2
SCHEMBL8476709 0.91 ESR1 (0.67) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7110896 0.91 ESR1 (0.69) ESR1ESR2EBPSIGMAR1PSMB1
SCHEMBL7112996 0.91 ESR1 (0.66) ESR1ESR2EBPSIGMAR1
SCHEMBL8477415 0.90 ESR1 (0.65) ESR1ESR2EBPSIGMAR1PSMB1

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-20030100754-A1 NAPHTHALENE COMPOUNDS, INTERMEDIATES, FORMULATIONS, AND METHODS ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-0826680-B1 Dihydronaphthalene and naphthalene compounds, intermediates, formulations, and methods of preparation thereof. LILLY CO ELI (US) 2001-10-24 EP disclosed
US-6020513-A BONE DISORDERS ELI LILLY AND COMPANY (US) 2000-02-01 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.