SCHEMBL18067516

SCHEMBL18067516

CC(C)COC(=O)OC(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS1 P23219 1/20 0.36
APEX1 P27695 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM1 Q13255 1/20 0.33
PRKCA P17252 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL20747660 0.82 TSHR (0.37) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL19500204 0.82 PRKCA (0.37) GRM1PRKCA
SCHEMBL12306241 0.81 ALDH1A1 (0.50) ALDH1A1LMNAGRM1
SCHEMBL19500212 0.81 ALDH1A1 (0.50) ALDH1A1LMNAGRM1
SCHEMBL20747769 0.80 TSHR (0.35) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL607855 0.79 TSHR (0.35) TSHRGRM1
SCHEMBL10344094 0.78 TSHR (0.43) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL6898236 0.78 TSHR (0.43) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL6896815 0.78 TSHR (0.43) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL20051872 0.78 PRKCA (0.34) TSHRCYP3A4TDP1GRM1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208045-B2 Aza-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-02-19 US disclosed
US-20160264581-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Pharmaceuticals, Inc. 2016-09-15 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 (2 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-10208045-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK TSHR 2479/4885ALDH1A1 1441/4885MEN1 2269/4885
US-20160264581-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK TSHR 2479/4885ALDH1A1 1441/4885MEN1 2269/4885

“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.