SCHEMBL21386017

SCHEMBL21386017

C=CC[C@]1(CCNC(=O)OC(C)(C)C)CCc2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.41
NAMPT P43490 2/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
DRD2 P14416 7/20 0.37
GHSR Q92847 1/20 0.36
PDK2 Q15119 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
KCNA5 P22460 1/20 0.36
CAMK2D Q13557 1/20 0.35
PDPK1 O15530 1/20 0.35
CCNB2 O95067 1/20 0.35
PRKCB P05771 1/20 0.35
CDK1 P06493 1/20 0.35
LYN P07948 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL29767750 0.90 MALT1 (0.38) MALT1NAMPTDDB1CRBNDRD2
SCHEMBL17854729 0.90 MALT1 (0.38) MALT1NAMPTDDB1CRBNDRD2
SCHEMBL29724733 0.79 MALT1 (0.47) MALT1DDB1CRBNDRD2PDK2
SCHEMBL23085936 0.79 MALT1 (0.47) MALT1DDB1CRBNDRD2PDK2
SCHEMBL22709892 0.77 ALDH1A1 (0.40) NAMPT
SCHEMBL28715001 0.77 ALDH1A1 (0.40) NAMPT
SCHEMBL29423670 0.77 ALDH1A1 (0.40) NAMPT
SCHEMBL21386029 0.76 EPHX1 (0.36) MALT1DRD2
SCHEMBL22692085 0.76 LMNA (0.45) DRD2
SCHEMBL22692083 0.76 LMNA (0.45) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421696-B2 Enantioselective synthesis of α-quaternary mannich adducts by palladium-catalyzed allylic alkylation CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-09-24 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-10421696-B2 Enantioselective synthesis of α-quaternary mannich adducts by palladium-catalyzed allylic alkylation ALG8, MANBA, MAN2A1 MALT1 1570/4885NAMPT 3355/4885DDB1 638/4885

“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.