SCHEMBL16183161

SCHEMBL16183161

CCc1ccc(C(C)(C)[C@@H](C(=O)OC)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ADORA1 P30542 1/20 0.35
PLK1 P53350 1/20 0.34
MMP13 P45452 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
CPB2 Q96IY4 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32

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
SCHEMBL16183160 0.87 KIF11 (0.37) ALDH1A1HPGDSMN1; SMN2HDAC3HDAC1
SCHEMBL6810467 0.86 NOTUM (0.38) HDAC3HDAC1HDAC2NCOR2MMP13
SCHEMBL16176709 0.86 NAMPT (0.42) L3MBTL1TDP1HDAC1
SCHEMBL16176710 0.86 NAMPT (0.42) L3MBTL1TDP1HDAC1
SCHEMBL6805608 0.85 AAK1 (0.41) ALDH1A1TDP1SMN1; SMN2MMP13AAK1
SCHEMBL16176663 0.85 AAK1 (0.41) ALDH1A1TDP1SMN1; SMN2MMP13AAK1
SCHEMBL57636 0.84 MMP13 (0.40) HDAC3HDAC1HDAC2MMP13AAK1
SCHEMBL88675 0.84 MMP13 (0.40) HDAC3HDAC1HDAC2MMP13AAK1
SCHEMBL7066900 0.84 SRD5A2 (0.38) TDP1HPGDSMN1; SMN2HDAC3HDAC1
SCHEMBL16176767 0.84 CHRNB2 (0.40)

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-9522876-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. 2016-12-20 US disclosed
US-20140315954-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2014-10-23 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-20140315954-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME CCNB1, CCNB2, CCNB3 L3MBTL1 211/4885ALDH1A1 2218/4885TDP1 146/4885

“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.