SCHEMBL9911440

SCHEMBL9911440

CC(C)OCC(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
PTGS2 P35354 1/20 0.45
EGLN1 Q9GZT9 2/20 0.42
ECE1 P42892 1/20 0.40
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
FAAH O00519 5/20 0.38
PTPN1 P18031 1/20 0.35
CTH P32929 1/20 0.34
APEX1 P27695 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9911444 0.80 ECE1 (0.47) ALDH1A1LMNAECE1FAAHKMT2A
SCHEMBL13681677 0.78 MCL1 (0.40) ALDH1A1LMNAFAAHKDM4EHPGD
SCHEMBL13831045 0.77 LMNA (0.49) ALDH1A1LMNATDP1KDM4EUSP2
SCHEMBL9911432 0.76 ITGB3 (0.38) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL2252214 0.76 EGLN1 (0.52) ALDH1A1LMNAMAPTTDP1PTGS2
SCHEMBL25063765 0.75 EPHX2 (0.45) ALDH1A1LMNAMAPTMEN1POLB
SCHEMBL18104670 0.75 BCHE (0.44) ALDH1A1LMNAFAAHKDM4EMEN1
SCHEMBL9911437 0.75 RAB9A (0.50) ALDH1A1LMNAMAPTMEN1USP2
SCHEMBL23735659 0.74 FAAH (0.53) ALDH1A1LMNAMAPTTDP1PTGS2
SCHEMBL56720 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020117974-A1 COMPOUNDS AND COMPOSITIONS FOR EYE TREATMENTS AVEDRO, INC. (US) 2020-06-11 WO disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E ALDH1A1 411/4885LMNA 2438/4885MAPT 2404/4885

“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.