SCHEMBL30526239

SCHEMBL30526239

COC(=O)Nc1cc(Br)c(OC)nc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KDR P35968 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ KCNK9 Q9NPC2 1/20 0.34
▸ ULK1 O75385 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PTK2 Q05397 1/20 0.33

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
SCHEMBL17681704 1.00 HTT (0.37) HTTMEN1KMT2AALDH1A1POLB
SCHEMBL19459324 0.89 ALDH1A1 (0.39) HTTMEN1KMT2AALDH1A1POLB
SCHEMBL19483220 0.86 MEN1 (0.40) HTTMEN1KMT2AALDH1A1POLB
SCHEMBL19483213 0.85 MEN1 (0.36) HTTMEN1KMT2AALDH1A1POLB
SCHEMBL30526247 0.84 MEN1 (0.37) HTTMEN1KMT2AHPGDALOX15
SCHEMBL17681628 0.78 HPGD (0.41) HTTMEN1KMT2AALDH1A1POLB
SCHEMBL19459457 0.78 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL30526262 0.76 CHRM3 (0.40) HTTMEN1KMT2AALDH1A1POLB
SCHEMBL17681618 0.76 HTT (0.37) HTTMEN1KMT2AHPGDALOX15
SCHEMBL30526254 0.74 SLC16A3 (0.37) MEN1KMT2APOLBRAB9ANPC1

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-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-15 — — 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-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 HTT 170/4885MEN1 2808/4885KMT2A 752/4885

“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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