SCHEMBL25790210

SCHEMBL25790210

O=C(O)c1cccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.53
KMT2A Q03164 1/20 0.52
MRGPRX4 Q96LA9 4/20 0.50
NR4A1 P22736 2/20 0.48
NR4A3 Q92570 2/20 0.48
AKR1C3 P42330 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL25788251 0.87 NR4A2 (0.52) NR4A2KMT2AMRGPRX4NR4A1NR4A3
SCHEMBL25788247 0.87 KMT2A (0.55) NR4A2KMT2AMRGPRX4NR4A1NR4A3
SCHEMBL25788254 0.85 USP2 (0.53) NR4A2KMT2AMRGPRX4NR4A1NR4A3
SCHEMBL2946154 0.83 NR4A2 (0.63) NR4A2KMT2AMRGPRX4NR4A1NR4A3
SCHEMBL30281213 0.83 NR4A2 (0.63) NR4A2KMT2AMRGPRX4NR4A1NR4A3
SCHEMBL25790173 0.82 TSHR (0.55) NR4A2NR4A1NR4A3NPC1RAB9A
SCHEMBL9147206 0.81 TSHR (0.57) NR4A2NR4A1NR4A3NPC1RAB9A
SCHEMBL9141748 0.81 TSHR (0.57) NR4A2NR4A1NR4A3NPC1RAB9A
SCHEMBL9143125 0.77 TSHR (0.52) NR4A2NR4A1NR4A3NPC1RAB9A
SCHEMBL848890 0.77 KMT2A (0.60) NR4A2KMT2AMRGPRX4NR4A1NR4A3

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-20230205083-A1 SALT COMPOUND, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-29 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-20230205083-A1 SALT COMPOUND, RESIST COMPOSITION AND PATTERNING PROCESS SLC6A9, SLC6A5, REN NR4A2 2712/4885KMT2A 2175/4885MRGPRX4 2885/4885

“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.