SCHEMBL19403452

SCHEMBL19403452

CC(C)(C)OC(=O)CSC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
DGAT1 O75907 1/20 0.33
CYP2D6 P10635 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL23145781 0.80 CCNB2 (0.34) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL7303460 0.78 TSHR (0.43) ALDH1A1GLACYP1A2CYP2C9CYP2C19
SCHEMBL9784220 0.78 CCNB2 (0.37) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL29080281 0.78 CCNB2 (0.37) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL13883056 0.77 HDAC1 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8843809 0.76 CCNB2 (0.36) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL8354123 0.74 GAA (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19HTT
SCHEMBL17119183 0.74 HDAC3 (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL2502740 0.74 CCNB2 (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL9784216 0.74 CYP1A2 (0.41) CCNB2CCNE2CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 US disclosed
WO-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 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 (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-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 CCNB2 3158/4885CCNE2 2365/4885CDK1 2843/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 CCNB2 3337/4885CCNE2 2811/4885CDK1 2854/4885

“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.