SCHEMBL7109898

SCHEMBL7109898

COc1ccc2c(c1)CCC(c1cccc(Cl)c1)=C2C(=O)c1ccc(OCCBr)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GRIN2C Q14957 2/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A3 Q01959 3/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
SLC6A2 P23975 1/20 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
SCHEMBL7106880 0.93 ESR1 (0.51) ESR1ESR2EBPSIGMAR1MAPT
SCHEMBL7107480 0.90 ESR1 (0.46) ESR1ESR2GRIN2CTP53MAPT
SCHEMBL7110416 0.88 ESR1 (0.51) ESR1ESR2EBPSIGMAR1MAPT
SCHEMBL3861641 0.88 ESR1 (0.55) ESR1ESR2EBPSIGMAR1TP53
SCHEMBL7105874 0.86 ESR1 (0.44) ESR1ESR2EBPSIGMAR1GRIN2C
SCHEMBL7111025 0.85 ESR1 (0.47) ESR1ESR2EBPSIGMAR1MAPT
SCHEMBL7112981 0.82 ESR1 (0.47) ESR1ESR2EBPSIGMAR1TP53
SCHEMBL7111266 0.81 ESR1 (0.47) ESR1ESR2TP53MAPTSMN1; SMN2
SCHEMBL7544137 0.80 ESR1 (0.37) ESR1ESR2EBPSIGMAR1
SCHEMBL7225086 0.80 ESR1 (0.37) ESR1ESR2EBPSIGMAR1

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.