SCHEMBL6736858

SCHEMBL6736858

COC(=O)c1cccc(-c2cccc(-c3ccccc3)c2O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.56
TSHR P16473 1/20 0.55
NEK1 Q96PY6 1/20 0.54
AXL P30530 1/20 0.54
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
ERN1 O75460 4/20 0.52
RAB9A P51151 2/20 0.51
PDK2 Q15119 1/20 0.51
NPC1 O15118 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
PTGS2 P35354 1/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
ACLY P53396 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
SCHEMBL28755028 0.92 TSHR (0.60) EGFRTSHRNEK1AXLGABRG2
Methane SCHEMBL28667111 0.90 TSHR (0.58) EGFRTSHRNEK1AXLGABRG2
SCHEMBL6082886 0.86 EGFR (0.57) EGFRTSHRNEK1AXLGABRG2
SCHEMBL28409132 0.85 ERN1 (0.50) AXLGABRG2GABRB3GABRA5GABRA3
SCHEMBL1756033 0.85 CA12 (0.51) AXLGABRG2GABRB3GABRA5GABRA3
SCHEMBL5988425 0.83 EGFR (0.62) EGFRTSHRNEK1GABRG2GABRB3
SCHEMBL29410906 0.83 TSHR (0.67) EGFRTSHRNEK1AXLGABRG2
SCHEMBL1221576 0.83 TSHR (0.67) EGFRTSHRNEK1AXLGABRG2
SCHEMBL16749656 0.83 CA12 (0.58) TSHRNEK1AXLGABRG2GABRB3
SCHEMBL22070953 0.83 GABRG2 (0.56) EGFRTSHRNEK1AXLGABRG2

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-6683107-B2 THERAPY OF METABOLISM DISORDERS WYETH 2004-01-27 US disclosed
US-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia WYETH 2003-04-17 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-20030073709-A1 Furans, benzofurans, and thiophenes useful in the treatment of insulin resistance and hyperglycemia GPR119, INSR, FFAR3 EGFR 536/4885TSHR 13/4885NEK1 3206/4885

“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.