SCHEMBL26447162

SCHEMBL26447162

COC(=O)CC[C@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
KAT2B Q92831 1/20 0.46
ABCB1 P08183 1/20 0.45
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
ATM Q13315 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ACHE P22303 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL17949819 0.91 ALDH1A1 (0.54) ALDH1A1LMNAMAPK1L3MBTL1TDP1
SCHEMBL26477155 0.88 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1L3MBTL1TDP1
SCHEMBL27489822 0.87 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1L3MBTL1TDP1
SCHEMBL11412502 0.86 ALDH1A1 (0.45) ALDH1A1KDM4ELMNAL3MBTL1TDP1
SCHEMBL25448705 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL27280701 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL21430281 0.86 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL27981610 0.84 ABCB1 (0.53) ALDH1A1KDM4ELMNAMAPK1L3MBTL1
SCHEMBL11411457 0.84 CTSB (0.51) ALDH1A1KMT2A
SCHEMBL24591323 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138393-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-04 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-20230138393-A1 LINKING AMINO ACID SEQUENCES, MANUFACTURING METHOD THEREOF, AND USE THEREOF BCAT2, BCAT1, AARS1 ALDH1A1 3622/4885KDM4E 2001/4885LMNA 779/4885

“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.