SCHEMBL7108400

SCHEMBL7108400

COc1ccc2c(c1)CCC(c1ccc(F)c(OC)c1Cl)=C2C(=O)c1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
ESR2 Q92731 2/20 0.44
CYP26A1 O43174 2/20 0.41
MIF P14174 2/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALPL P05186 1/20 0.40
CLK1 P49759 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP24A1 Q07973 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPK14 Q16539 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HSD17B1 P14061 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
SCHEMBL8603721 0.84 ESR1 (0.37) ESR1ESR2CYP26A1MIFMAPT
SCHEMBL7110268 0.83 ESR1 (0.45) ESR1ESR2CYP26A1MIFMAPT
SCHEMBL7107858 0.82 MAPT (0.41) ESR1ESR2MAPTSMN1; SMN2TP53
SCHEMBL7540809 0.81 ESR1 (0.34) ESR1ESR2CYP26A1MIFMAPT
SCHEMBL6135986 0.80 ESR1 (0.58) ESR1ESR2CYP26A1MIFMAPT
SCHEMBL7113206 0.79 ESR1 (0.48) ESR1ESR2CYP26A1MIFMAPT
SCHEMBL3861662 0.78 ESR1 (0.60) ESR1ESR2CYP26A1MIFMAPT
SCHEMBL7108932 0.77 ESR1 (0.52) ESR1ESR2CYP26A1MIFMAPT
SCHEMBL7107472 0.76 ESR1 (0.52) ESR1ESR2CYP26A1MIFMAPT
SCHEMBL3862097 0.75 ESR1 (0.52) ESR1ESR2MAPTSMN1; SMN2TP53

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 2130/4885CYP26A1 208/4885

“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.