SCHEMBL24214166

SCHEMBL24214166

COC(=O)c1ccc(C(F)(F)F)c(CCO)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.60
▸ NPC1 O15118 1/20 0.52
▸ CYP4A11 Q02928 4/20 0.50
▸ CYP4F2 P78329 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ XDH P47989 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ P4HB P07237 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ PDK2 Q15119 2/20 0.40

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
SCHEMBL31337586 0.84 NOTUM (0.61) NOTUMALDH1A1KDM4ELMNAHTT
Bromide SCHEMBL30583315 0.82 NOTUM (0.60) NOTUMALDH1A1KDM4ELMNAHTT
SCHEMBL24214169 0.81 SRD5A2 (0.46) ALDH1A1MRGPRX4EPHX2
SCHEMBL3913814 0.81 NOTUM (0.58) NOTUMALDH1A1KDM4ELMNAHTT
SCHEMBL29244637 0.80 NOTUM (0.60) NOTUMNPC1CYP4A11CYP4F2ALDH1A1
SCHEMBL13694745 0.79 NOTUM (0.50) NOTUMNPC1ALDH1A1KDM4ELMNA
SCHEMBL1997248 0.79 NOTUM (0.73) NOTUMALDH1A1KDM4ELMNAHTT
SCHEMBL13957150 0.79 NOTUM (0.56) NOTUMALDH1A1KDM4ELMNAHTT
SCHEMBL9062686 0.78 NPC1 (0.57) NPC1CYP4A11CYP4F2ALDH1A1KDM4E
SCHEMBL28363329 0.78 ALDH1A1 (0.57) NOTUMNPC1CYP4A11CYP4F2ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 — — US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 — — US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 — — US disclosed
WO-2022015977-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 — — WO disclosed
WO-2022015977-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 — — WO 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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NOTUM 4501/4885NPC1 859/4885CYP4A11 3911/4885

“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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