SCHEMBL17837290

SCHEMBL17837290

C=CCC1(CNC(=O)O)CCc2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR2A P28223 6/20 0.38
HTR2C P28335 6/20 0.38
HTR2B P41595 6/20 0.38
SIGMAR1 Q99720 6/20 0.38
DRD2 P14416 4/20 0.38
DGAT1 O75907 6/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCD O00767 1/20 0.34
SMN1; SMN2 Q16637 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 0.83 MALT1 (0.38) LMNAHTTNPSR1L3MBTL1HTR2A
SCHEMBL29767750 0.83 MALT1 (0.38) LMNAHTTNPSR1L3MBTL1HTR2A
SCHEMBL22692085 0.81 LMNA (0.45) LMNAHTTNPSR1L3MBTL1HTR2A
SCHEMBL22692083 0.81 LMNA (0.45) LMNAHTTNPSR1L3MBTL1HTR2A
SCHEMBL22692119 0.80 L3MBTL1 (0.43) LMNAHTTNPSR1L3MBTL1HTR2A
SCHEMBL22692008 0.80 L3MBTL1 (0.43) LMNAHTTNPSR1L3MBTL1HTR2A
SCHEMBL22692007 0.80 L3MBTL1 (0.43) LMNAHTTNPSR1L3MBTL1HTR2A
SCHEMBL28715001 0.78 ALDH1A1 (0.40) LMNAHTTNPSR1L3MBTL1HTR2A
SCHEMBL29423670 0.78 ALDH1A1 (0.40) LMNAHTTNPSR1L3MBTL1HTR2A
SCHEMBL22709892 0.78 ALDH1A1 (0.40) LMNAHTTNPSR1L3MBTL1HTR2A

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 4 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-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-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 LMNA 1583/4885HTT 4216/4885NPSR1 3392/4885
US-10421696-B2 Enantioselective synthesis of α-quaternary mannich adducts by palladium-catalyzed allylic alkylation ALG8, MANBA, MAN2A1 LMNA 1583/4885HTT 4216/4885NPSR1 3392/4885
US-20160176773-A1 ENANTIOSELECTIVE SYNTHESIS OF alpha-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION ALG8, MANBA, MAN2A1 LMNA 1534/4885HTT 4279/4885NPSR1 3497/4885
US-20200157020-A1 ENANTIOSELECTIVE SYNTHESIS OF ALPHA-QUATERNARY MANNICH ADDUCTS BY PALLADIUM-CATALYZED ALLYLIC ALKYLATION ALG8, MANBA, MAN2A1 LMNA 1534/4885HTT 4279/4885NPSR1 3497/4885

“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.