SCHEMBL31078108

SCHEMBL31078108

O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.67
▸ CHRNB2 P17787 1/20 0.66
▸ CHRNB4 P30926 1/20 0.66
▸ CHRNA3 P32297 1/20 0.66
▸ CHRNA4 P43681 1/20 0.66
▸ ALDH1A1 P00352 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ HTT P42858 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MLYCD O95822 3/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PTGS1 P23219 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ APOB P04114 1/20 0.49

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
SCHEMBL31078052 0.82 RORC (0.73) RORCPOLBSMN1; SMN2MLYCD
SCHEMBL31393757 0.82 CHRNB2 (0.71) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL12334586 0.82 RORC (0.72) RORCALDH1A1TP53HTTSMN1; SMN2
SCHEMBL5314168 0.81 RORC (0.77) RORCPOLBSMN1; SMN2MLYCD
SCHEMBL1017796 0.81 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL12334663 0.81 RORC (0.71) RORCGAASMN1; SMN2MLYCDLMNA
SCHEMBL12334371 0.81 SMN1; SMN2 (0.76) RORCALDH1A1SMN1; SMN2MLYCDL3MBTL1
SCHEMBL12334368 0.81 RORC (1.00) RORCPOLBSMN1; SMN2MLYCDLMNA
SCHEMBL31078214 0.81 RORC (0.71) RORCALDH1A1GAATP53HTT
SCHEMBL31078114 0.81 RORC (1.00) RORCPOLBSMN1; SMN2MLYCDLMNA

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-20240245633-A1 ROR Gamma Agonists as Enhancers of Protective Immunity UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-07-25 — — 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-20240245633-A1 ROR Gamma Agonists as Enhancers of Protective Immunity RORC, RORB, RORA RORC 1/4885CHRNB2 949/4885CHRNB4 792/4885

“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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