SCHEMBL3884033

SCHEMBL3884033

CC(C)(C)C(Sc1ccc(CCN)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 6/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR3A P46098 1/20 0.38
BACE1 P56817 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
HTR2A P28223 2/20 0.36

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
SCHEMBL3890950 0.77 HTT (0.41) HTTALDH1A1SLC6A2CYP2C19KMT2A
SCHEMBL8659778 0.77 POLB (0.46) HTTALDH1A1KDM4ECYP2C19L3MBTL1
SCHEMBL5333496 0.73 TBXAS1 (0.51) TAAR1ALDH1A1CYP2A6CYP1A2KDM4E
SCHEMBL21426769 0.71 TAAR1 (0.50) TAAR1ALDH1A1CYP2A6CYP1A2KDM4E
SCHEMBL5805457 0.68 NOS3 (0.47) TAAR1ALDH1A1CYP2A6CYP1A2KDM4E
SCHEMBL11471957 0.67 TBXAS1 (0.49) TAAR1ALDH1A1CYP2A6CYP1A2KDM4E
SCHEMBL27703432 0.67 PTGS2 (0.62) HTTKMT2ABLMLMNAHTR2A
SCHEMBL3892694 0.67 FFAR1 (0.57) TAAR1ALDH1A1CYP2A6CYP1A2KDM4E
Hydrochloric Acid SCHEMBL11112027 0.66 TAAR1 (0.48) TAAR1ALDH1A1CYP2A6CYP1A2KDM4E
Hydrochloric Acid SCHEMBL11103972 0.66 PTGS2 (0.61) HTTKMT2ABLMTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528276-B2 Process for preparing the intermediate compounds for PPAR α ligands SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2009-05-05 US disclosed
US-20080269516-A1 Process for Preparing the Intermediate Compounds for Pparalpha Ligands SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-10-30 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-20080269516-A1 Process for Preparing the Intermediate Compounds for Pparalpha Ligands PPARG, PPARA, PPARD HTT 2326/4885TAAR1 1370/4885ALDH1A1 1552/4885

“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.