SCHEMBL16889125

SCHEMBL16889125

CC[C@]1(O)CCOC(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.31
ICMT O60725 2/20 0.30

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
SCHEMBL17553736 1.00 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL16889141 1.00 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL19497532 0.78 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL16885324 0.78 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL16885314 0.78 KDM4E (0.44) ALDH1A1KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL17553735 0.77
SCHEMBL24517556 0.75
SCHEMBL24777513 0.72 TSHR (0.41) ALDH1A1KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL27003815 0.72 TSHR (0.41) ALDH1A1KDM4ESMN1; SMN2TSHRL3MBTL1
SCHEMBL24708218 0.72 TSHR (0.41) ALDH1A1KDM4ESMN1; SMN2TSHRL3MBTL1

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-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK ALDH1A1 2112/4885KDM4E 1293/4885SMN1; SMN2 4721/4885

“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.