SCHEMBL7105874

SCHEMBL7105874

COc1ccc2c(c1)CCC(c1cccc(OC)c1Cl)=C2C(=O)c1ccc(OCCBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
MAPT P10636 10/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
MAPK1 P28482 1/20 0.36
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PTGER1 P34995 1/20 0.36
MCHR1 Q99705 1/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 2/20 0.35

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
SCHEMBL7112981 0.91 ESR1 (0.47) ESR1ESR2MAPTLMNAL3MBTL1
SCHEMBL7110268 0.87 ESR1 (0.45) ESR1ESR2MAPTLMNASMN1; SMN2
SCHEMBL7109898 0.86 ESR1 (0.51) ESR1ESR2MAPTSMN1; SMN2EBP
SCHEMBL7106880 0.86 ESR1 (0.51) ESR1ESR2MAPTLMNAL3MBTL1
SCHEMBL3861641 0.83 ESR1 (0.55) ESR1ESR2MAPTL3MBTL1SMN1; SMN2
SCHEMBL7111025 0.82 ESR1 (0.47) ESR1ESR2MAPTLMNAL3MBTL1
SCHEMBL7110416 0.81 ESR1 (0.51) ESR1ESR2MAPTLMNAL3MBTL1
SCHEMBL7544137 0.81 ESR1 (0.37) ESR1ESR2EBPSIGMAR1PTGER1
SCHEMBL7225086 0.81 ESR1 (0.37) ESR1ESR2EBPSIGMAR1PTGER1
SCHEMBL7111006 0.80 MAPT (0.51) ESR1ESR2MAPTLMNASMN1; SMN2

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.