SCHEMBL16891978

SCHEMBL16891978

CCCO[C@H]1CNCC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TACR1 P25103 2/20 0.45
NAAA Q02083 4/20 0.44
ASAH1 Q13510 1/20 0.44
TSHR P16473 1/20 0.44
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL15251322 1.00 CPB1 (0.47) CPB1ALDH1A1GAATACR1NAAA
SCHEMBL15251346 0.91 CPB1 (0.49) CPB1ALDH1A1GAATACR1NAAA
SCHEMBL2826203 0.91 CPB1 (0.49) CPB1ALDH1A1GAATACR1NAAA
SCHEMBL2823788 0.86 CPB1 (0.54) CPB1ALDH1A1GAATACR1NAAA
SCHEMBL30400185 0.86 CPB1 (0.54) CPB1ALDH1A1GAATACR1NAAA
SCHEMBL30401008 0.86 CPB1 (0.54) CPB1ALDH1A1GAATACR1NAAA
SCHEMBL5227905 0.86 CPB1 (0.54) CPB1ALDH1A1GAATACR1NAAA
SCHEMBL13329888 0.86 ALDH1A1 (0.46) CPB1ALDH1A1GAATACR1NAAA
SCHEMBL13330261 0.86 ALDH1A1 (0.46) CPB1ALDH1A1GAATACR1NAAA
Hydrochloric Acid SCHEMBL2823828 0.85 CPB1 (0.53) CPB1ALDH1A1GAATACR1NAAA

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-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 US disclosed
US-20160332989-A1 Kinase Inhibitor And Use Thereof Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-11-17 US disclosed
WO-2015101293-A1 KINASE INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2015-07-09 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 (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-20160332989-A1 Kinase Inhibitor And Use Thereof CDK4, CDK6, CDK3 CPB1 4053/4885ALDH1A1 2078/4885GAA 1865/4885

“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.