SCHEMBL21787639

SCHEMBL21787639

COC(=O)[C@@H](N)c1ccc(CCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.55
CYP4F2 P78329 4/20 0.50
PPARA Q07869 1/20 0.43
CA2 P00918 2/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
SPHK1 Q9NYA1 7/20 0.41
SPHK2 Q9NRA0 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL8573554 0.90 CYP4A11 (0.53) CYP4A11CYP4F2PPARACA2ESR1
SCHEMBL7252180 0.81 KMT2A (0.48) CA2ESR1ESR2
SCHEMBL3309903 0.79 ESR1 (0.49) ESR1ESR2
SCHEMBL8437707 0.78 CYP4A11 (0.58) CYP4A11CYP4F2PPARACA2ESR1
SCHEMBL8667512 0.78 CYP4F2 (0.53) CYP4A11CYP4F2ESR1ESR2
SCHEMBL18358078 0.75 TSHR (0.42) ESR1ESR2
SCHEMBL7904948 0.75 ALDH1A1 (0.51) CYP4A11CYP4F2ESR1ESR2
SCHEMBL12733081 0.75 F2 (0.39) CYP4A11CYP4F2
SCHEMBL9620180 0.74 SLC6A3 (0.47) ESR1ESR2
SCHEMBL8252300 0.74 L3MBTL1 (0.45) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US disclosed
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2023-10-19 US disclosed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US disclosed
US-11666555-B2 RelA inhibitors for biofilm disruption DREXEL UNIVERSITY (US) 2023-06-06 US disclosed
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption DREXEL UNIVERSITY (US) 2020-03-05 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 (3 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-11666555-B2 RelA inhibitors for biofilm disruption RELA, NFKBIA, NFKB1 CYP4A11 3722/4885CYP4F2 4349/4885PPARA 3709/4885
US-20230330065-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 CYP4A11 3722/4885CYP4F2 4349/4885PPARA 3709/4885
US-20200069647-A1 RelA Inhibitors for Biofilm Disruption RELA, NFKBIA, NFKB1 CYP4A11 3722/4885CYP4F2 4349/4885PPARA 3709/4885

“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.