SCHEMBL23913055

SCHEMBL23913055

CC(CCOc1ccc(-c2cc(C(F)(F)F)n[nH]2)c(O)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30

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
SCHEMBL21786483 0.92 ESR1 (0.34) IKBKBAKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL21786538 0.87 IKBKB (0.34) IKBKBLTB4RLTB4R2GPBAR1SCN8A
SCHEMBL21786471 0.86 PTGDR2 (0.39) IKBKBLTB4RLTB4R2
SCHEMBL21786541 0.85 PTGDR2 (0.36) IKBKBLTB4RLTB4R2
SCHEMBL21786470 0.83 SCN8A (0.33) IKBKBAKR1C3AKR1C2SCN8ASCN10A
SCHEMBL21786610 0.81 MAPT (0.38)
SCHEMBL21786474 0.80 HTR2A (0.38)
SCHEMBL22791108 0.80 CYP11B1 (0.37)
SCHEMBL21786481 0.79 PTPN1 (0.40) GPBAR1
SCHEMBL21786472 0.79 MAPT (0.41)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 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-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 IKBKB 433/4885AKR1C3 3147/4885AKR1C2 2870/4885

“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.