SCHEMBL25944306

SCHEMBL25944306

CC(C)c1ccc(F)cc1OCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
ADRA1A P35348 5/20 0.43
ADRA1B P35368 5/20 0.43
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
THRB P10828 1/20 0.41
G6PD P11413 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MRGPRX1 Q96LB2 2/20 0.39
CYP2C9 P11712 2/20 0.37
CYP17A1 P05093 1/20 0.37

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
SCHEMBL22479880 0.87 ADRA1A (0.41) RXRAADRA1AADRA1BMEN1MAPT
SCHEMBL23902029 0.83 RXRA (0.45) RXRAADRA1AADRA1BMEN1MAPT
SCHEMBL9908241 0.82 HRH4 (0.45) RXRAMEN1MAPTKMT2AALDH1A1
SCHEMBL18929928 0.81 ALDH1A1 (0.36) ADRA1AADRA1BMEN1MAPTKMT2A
SCHEMBL9607585 0.81 KMT2A (0.45) RXRAMEN1MAPTKMT2AALDH1A1
SCHEMBL9945958 0.78 ALDH1A1 (0.44) RXRAMEN1MAPTKMT2AALDH1A1
SCHEMBL12598685 0.77 FFAR1 (0.46) ADRA1AADRA1BMEN1MAPTKMT2A
SCHEMBL12868968 0.77 KCNK3 (0.43) PDE2AARHRH4SLC6A4
SCHEMBL28935348 0.77 MAPT (0.47) ADRA1AADRA1BMEN1MAPTKMT2A
SCHEMBL24869064 0.77 ALDH1A1 (0.44) MEN1KMT2AALDH1A1KDM4EL3MBTL1

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-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME DEUTERX LLC (US) 2023-08-03 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-20230242504-A1 DEUTERIUM-ENRICHED PIPERIDINONYL-OXOISOINDOLINYL ACETAMIDES AND METHODS OF TREATING MEDICAL DISORDERS USING SAME EGLN3, HPGDS, EGLN2 RXRA 2236/4885ADRA1A 2965/4885ADRA1B 3727/4885

“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.