SCHEMBL7107858

SCHEMBL7107858

COc1ccc(C(=O)C2=C(c3cccc(F)c3OC)CCc3cc(OC)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
ALPL P05186 1/20 0.40
CLK1 P49759 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPK14 Q16539 5/20 0.39
TP53 P04637 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39

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
SCHEMBL7111006 0.82 MAPT (0.51) MAPTALDH1A1KMT2AKDM4ERAB9A
SCHEMBL7108400 0.82 ESR1 (0.44) MAPTALDH1A1KMT2AKDM4ERAB9A
SCHEMBL7111266 0.81 ESR1 (0.47) MAPTALDH1A1KMT2ATDP1KDM4E
SCHEMBL3862097 0.81 ESR1 (0.52) MAPTALDH1A1KMT2ATDP1KDM4E
SCHEMBL3976908 0.80 ESR1 (0.55) MAPTALDH1A1KMT2AKDM4ERAB9A
SCHEMBL7107480 0.77 ESR1 (0.46) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6135986 0.77 ESR1 (0.58) MAPTKMT2ATDP1KDM4ERAB9A
SCHEMBL7110268 0.76 ESR1 (0.45) MAPTALDH1A1KMT2ARAB9ANPC1
SCHEMBL7108932 0.76 ESR1 (0.52) MAPTKMT2ATDP1KDM4ERAB9A
SCHEMBL7106199 0.76 ESR1 (0.44) MAPTALDH1A1KMT2AKDM4ERAB9A

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 MAPT 526/4885ALDH1A1 609/4885KMT2A 4083/4885

“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.