SCHEMBL17837299

SCHEMBL17837299

C=C(COC(=O)C1(CNC(=O)OC(C)(C)C)CCCCC1=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35
IDO1 P14902 2/20 0.34
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
PPIA P62937 2/20 0.33
SYK P43405 1/20 0.33
KDM4A O75164 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
PPARD Q03181 2/20 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
SCHEMBL17854728 0.81 SYK (0.37) NPFFR1NPFFR2IDO1ACACBACACA
SCHEMBL19576702 0.80 CYP2C19 (0.37) CYP3A4CYP2C19ALDH1A1L3MBTL1
SCHEMBL17837310 0.78 SMN1; SMN2 (0.34) ALDH1A1L3MBTL1
SCHEMBL17837305 0.77 SMN1; SMN2 (0.33) ALDH1A1L3MBTL1
SCHEMBL17837313 0.75 SMN1; SMN2 (0.34) ALDH1A1L3MBTL1
SCHEMBL17837300 0.72 LMNA (0.45) ALDH1A1L3MBTL1
SCHEMBL5694845 0.70 CA12 (0.42) IDO1ALDH1A1PPARGPPARAPPARD
SCHEMBL17837269 0.69 FAAH (0.38) CYP3A4ALDH1A1
SCHEMBL5158225 0.69 MAOA (0.46) NPFFR1NPFFR2IDO1ACACBACACA
SCHEMBL17837251 0.69 NPC1L1 (0.38) NPFFR1NPFFR2PPIAALDH1A1L3MBTL1

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 NPFFR1 3590/4885NPFFR2 3251/4885IDO1 767/4885
US-10421696-B2 Enantioselective synthesis of α-quaternary mannich adducts by palladium-catalyzed allylic alkylation ALG8, MANBA, MAN2A1 NPFFR1 3590/4885NPFFR2 3251/4885IDO1 767/4885
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION ALG8, MANBA, MAN2A1 NPFFR1 3627/4885NPFFR2 3325/4885IDO1 870/4885
US-20200157020-A1 ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION ALG8, MANBA, MAN2A1 NPFFR1 3627/4885NPFFR2 3325/4885IDO1 870/4885

“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.