SCHEMBL31757553

SCHEMBL31757553

FC(F)(F)Cc1ccc(OCCc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
LTA4H P09960 2/20 0.43
CHRNA7 P36544 5/20 0.43
HDAC1 Q13547 3/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA10 Q9GZZ6 2/20 0.43
CHRNA9 Q9UGM1 2/20 0.43
KCNH2 Q12809 2/20 0.41
HDAC8 Q9BY41 1/20 0.39
AHR P35869 1/20 0.37
DRD4 P21917 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL31757558 0.90 APP (0.45) APPLTA4HCHRNA7HDAC1CHRNB4
SCHEMBL31757552 0.88 LTA4H (0.40) APPLTA4HCHRNA7HDAC1CHRNB4
SCHEMBL31757537 0.87 CHRNA7 (0.53) APPLTA4HCHRNA7HDAC1CHRNB4
SCHEMBL30375754 0.82 CHRNB4 (0.48) APPLTA4HCHRNA7HDAC1CHRNB4
SCHEMBL30375430 0.82 LTA4H (0.51) APPLTA4HCHRNA7HDAC1CHRNB4
SCHEMBL31757556 0.81 CHRNB4 (0.47) APPLTA4HCHRNA7HDAC1CHRNB4
SCHEMBL30375153 0.80 IMPDH2 (0.56) APPLTA4HCHRNA7HDAC1CHRNB4
SCHEMBL30375479 0.79 LTA4H (0.49) APPLTA4HCHRNA7HDAC1CHRNB4
SCHEMBL30375571 0.78 CYP17A1 (0.58) APPLTA4HCHRNA7HDAC1CHRNB4
SCHEMBL3214637 0.78 LTA4H (0.53) APPLTA4HCHRNA7HDAC1CHRNB4

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-12503436-B2 Compounds and compositions for treating conditions associated with STING activity NOVARTIS PHARMA AG (CH) 2025-12-23 US claimed

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-12503436-B2 Compounds and compositions for treating conditions associated with STING activity STING1, CGAS, IRF3 APP 1734/4885LTA4H 1771/4885CHRNA7 1582/4885

“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.