SCHEMBL17837296

SCHEMBL17837296

C=CCOC(=O)C1(CNC(=O)OC(C)(C)C)CCc2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MALT1 Q9UDY8 1/20 0.36
GHSR Q92847 1/20 0.36
DRD2 P14416 1/20 0.35
RHOA P61586 1/20 0.34
NAMPT P43490 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
MAPT P10636 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
SYK P43405 1/20 0.33
BACE1 P56817 1/20 0.33
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 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
SCHEMBL17854729 0.81 MALT1 (0.38) MALT1GHSRDRD2NAMPTNPSR1
SCHEMBL29767750 0.81 MALT1 (0.38) MALT1GHSRDRD2NAMPTNPSR1
SCHEMBL17837313 0.77 SMN1; SMN2 (0.34) ALDH1A1DRD2SMN1; SMN2
SCHEMBL22692132 0.77 MAPT (0.38) ALDH1A1RHOANAMPTNPSR1MAPT
SCHEMBL29423728 0.77 MAPT (0.38) ALDH1A1RHOANAMPTNPSR1MAPT
SCHEMBL17837310 0.76 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL18101494 0.75 SMN1; SMN2 (0.45) ALDH1A1DRD2RHOANPSR1MAPT
SCHEMBL29423722 0.75 BRD4 (0.39) ALDH1A1NAMPTNPSR1MAPTSMN1; SMN2
SCHEMBL22692122 0.75 BRD4 (0.39) ALDH1A1NAMPTNPSR1MAPTSMN1; SMN2
SCHEMBL21386017 0.75 MALT1 (0.41) MALT1GHSRDRD2NAMPTTPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377396-B2 Enantioselective synthesis of α-quaternary Mannich adducts by palladium-catalyzed allylic alkylation CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-07-05 US disclosed
US-11377396-B2 Enantioselective synthesis of α-quaternary Mannich adducts by palladium-catalyzed allylic alkylation CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-07-05 US disclosed
US-20200157020-A1 ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-05-21 US disclosed
US-20200157020-A1 ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-05-21 US disclosed
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
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
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-23 US disclosed
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-23 US disclosed
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-23 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 (4 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-11377396-B2 Enantioselective synthesis of α-quaternary Mannich adducts by palladium-catalyzed allylic alkylation ALG8, MANBA, MAN2A1 ALDH1A1 122/4885MALT1 1570/4885GHSR 4563/4885
US-10421696-B2 Enantioselective synthesis of α-quaternary mannich adducts by palladium-catalyzed allylic alkylation ALG8, MANBA, MAN2A1 ALDH1A1 122/4885MALT1 1570/4885GHSR 4563/4885
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION ALG8, MANBA, MAN2A1 ALDH1A1 156/4885MALT1 1579/4885GHSR 4558/4885
US-20200157020-A1 ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION ALG8, MANBA, MAN2A1 ALDH1A1 156/4885MALT1 1579/4885GHSR 4558/4885

“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.