SCHEMBL30526263

SCHEMBL30526263

COC(=O)Nc1cc(-c2ccc(C=O)o2)c(OC)nc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ POLB P06746 5/20 0.36
▸ LMNA P02545 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 5/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ SCN10A Q9Y5Y9 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
SCHEMBL19459320 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBLMNAL3MBTL1
SCHEMBL17671264 0.80 KDM4E (0.41) ALDH1A1KDM4EPOLBLMNAL3MBTL1
SCHEMBL30526262 0.74 CHRM3 (0.40) ALDH1A1POLBHPGDSMN1; SMN2MAPT
SCHEMBL30526239 0.73 HTT (0.37) ALDH1A1POLBHPGDSMN1; SMN2MAPT
SCHEMBL17681704 0.73 HTT (0.37) ALDH1A1POLBHPGDSMN1; SMN2MAPT
SCHEMBL30526247 0.73 MEN1 (0.37) HPGDMAPTKMT2AMEN1HTT
SCHEMBL19459272 0.71 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL19459427 0.70 PTPN11 (0.38) MAPTABL1
SCHEMBL30526243 0.68 MAOB (0.41) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL19459549 0.67 MGLL (0.44) ALDH1A1L3MBTL1KMT2AMEN1ABL1

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 ALDH1A1 778/4885KDM4E 2013/4885POLB 3040/4885

“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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