SCHEMBL17037490

SCHEMBL17037490

CC(C)[C@H]1CCCC[C@]1(C)O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 1/20 0.33
SLC18A3 Q16572 1/20 0.33
MAPT P10636 1/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6127789 1.00 ALDH1A1 (0.34) ALDH1A1L3MBTL1ATP1A1ATP1B1ATP1A3
SCHEMBL17037491 1.00 ALDH1A1 (0.34) ALDH1A1L3MBTL1ATP1A1ATP1B1ATP1A3
SCHEMBL18595259 1.00 ALDH1A1 (0.34) ALDH1A1L3MBTL1ATP1A1ATP1B1ATP1A3
SCHEMBL16383055 0.93 L3MBTL1 (0.34) ALDH1A1L3MBTL1MAPT
SCHEMBL16383069 0.93 L3MBTL1 (0.34) ALDH1A1L3MBTL1MAPT
SCHEMBL16766054 0.93 L3MBTL1 (0.34) ALDH1A1L3MBTL1MAPT
SCHEMBL25907745 0.93 L3MBTL1 (0.34) ALDH1A1L3MBTL1MAPT
SCHEMBL21948079 0.93 L3MBTL1 (0.34) ALDH1A1L3MBTL1MAPT
SCHEMBL21948078 0.93 L3MBTL1 (0.34) ALDH1A1L3MBTL1MAPT
SCHEMBL19043993 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 ALDH1A1 3298/4885L3MBTL1 4097/4885ATP1A1 3540/4885

“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.