SCHEMBL26231532

SCHEMBL26231532

C[n+]1nn(OC(F)F)c2cc([N+](=O)[O-])cc(C(F)(F)F)c21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.31
▸ GALR3 O60755 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL22954282 0.75 MAPT (0.37) ALDH1A1MEN1GALR3HTTKMT2A
SCHEMBL26231979 0.64 ALDH1A1 (0.34) ALDH1A1MEN1GALR3HTTKMT2A
SCHEMBL26231533 0.63 GPR35 (0.36) —
SCHEMBL16451131 0.62 ALDH1A1 (0.51) ALDH1A1MEN1GALR3HTTKMT2A
SCHEMBL26231537 0.62 ALDH1A1 (0.43) ALDH1A1MEN1GALR3HTTKMT2A
SCHEMBL13724896 0.60 CYP19A1 (0.50) ALDH1A1MEN1GALR3HTTKMT2A
SCHEMBL22954108 0.59 MAPT (0.60) ALDH1A1MEN1GALR3HTTKMT2A
SCHEMBL26231536 0.59 ALDH1A1 (0.43) ALDH1A1MEN1GALR3HTTKMT2A
SCHEMBL15271018 0.59 ALDH1A1 (0.47) ALDH1A1MEN1GALR3HTTKMT2A
SCHEMBL1459269 0.59 ALDH1A1 (0.54) ALDH1A1MEN1GALR3HTTKMT2A

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-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — 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-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 ALDH1A1 1490/4885MEN1 398/4885GALR3 4687/4885

“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.

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