SCHEMBL22800779

SCHEMBL22800779

CC(C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
MAPT P10636 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
APAF1 O14727 1/20 0.60
POLB P06746 1/20 0.60
RECQL P46063 1/20 0.60
ACE P12821 3/20 0.59
ALOX15 P16050 1/20 0.57
ADRB1 P08588 1/20 0.55
HTR1A P08908 1/20 0.55
ADRA2A P08913 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR1E P28566 1/20 0.55
SLC6A4 P31645 1/20 0.55
HTR7 P34969 1/20 0.55
HTR2B P41595 1/20 0.55

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
SCHEMBL13213432 1.00 KDM4E (0.60) KDM4EMAPTL3MBTL1APAF1POLB
SCHEMBL20845643 0.90 KDM4E (0.59) KDM4EMAPTL3MBTL1APAF1POLB
SCHEMBL23872547 0.90 ACE (0.63) KDM4EMAPTL3MBTL1APAF1POLB
SCHEMBL24377551 0.90 ACE (0.63) KDM4EMAPTL3MBTL1APAF1POLB
SCHEMBL19369743 0.90 ACE (0.63) KDM4EMAPTL3MBTL1APAF1POLB
SCHEMBL16750046 0.89 ACE (0.70) KDM4EMAPTL3MBTL1APAF1POLB
SCHEMBL13233530 0.89 KDM4E (0.60) KDM4EMAPTL3MBTL1APAF1POLB
SCHEMBL19737124 0.89 ACE (0.70) KDM4EMAPTL3MBTL1APAF1POLB
SCHEMBL15592745 0.89 ACE (0.70) KDM4EMAPTL3MBTL1APAF1POLB
SCHEMBL19386671 0.88 KDM4E (0.56) KDM4EMAPTL3MBTL1APAF1POLB

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-20240207411-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS SEAPORT THERAPEUTICS, INC. 2024-06-27 US disclosed
US-20240207411-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS SEAPORT THERAPEUTICS, INC. 2024-06-27 US disclosed
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 US disclosed
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2023-10-26 US disclosed
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS PURETECH LYT, INC. (US) 2022-12-15 US disclosed
US-20220143038-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF PURETECH LYT, INC. (US) 2022-05-12 US disclosed
US-20220125933-A1 LIPID PRODRUGS OF JAK INHIBITORS AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2022-04-28 US disclosed
US-20220001015-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS SEAPORT THERAPEUTICS, INC. 2022-01-06 US disclosed
US-20200390777-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF SEAPORT THERAPEUTICS, INC. 2020-12-17 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 (7 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-20220001015-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS LIPA, MALT1, SGMS1 KDM4E 2135/4885MAPT 2535/4885L3MBTL1 1388/4885
US-20230338552-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 KDM4E 2859/4885MAPT 1915/4885L3MBTL1 3485/4885
US-20220125933-A1 LIPID PRODRUGS OF JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 KDM4E 499/4885MAPT 3755/4885L3MBTL1 1375/4885
US-20200390777-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF MALT1, CYP2B6, LIPA KDM4E 1491/4885MAPT 2502/4885L3MBTL1 2320/4885
US-20220395513-A1 LIPID PRODRUGS OF NEUROSTEROIDS CYP21A2, CYP46A1, CYP17A1 KDM4E 2859/4885MAPT 1915/4885L3MBTL1 3485/4885
US-20220143038-A1 LIPID PRODRUGS OF MYCOPHENOLIC ACID AND USES THEREOF MALT1, CYP2B6, LIPA KDM4E 1491/4885MAPT 2502/4885L3MBTL1 2320/4885
US-20240207411-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS LIPA, MALT1, SGMS1 KDM4E 2135/4885MAPT 2535/4885L3MBTL1 1388/4885

“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.