SCHEMBL25124091

SCHEMBL25124091

CCCCCC/C=C/COC(=O)CCCCCCCCNCCCNC(=O)c1cc(C)cc(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL22767939 0.84 EPHX2 (0.43) EPHX2ALDH1A1TDP1MAPTHPGD
SCHEMBL16730498 0.79 EPHX2 (0.56) EPHX2ALOX15TSHRHSD17B10CYP1A2
SCHEMBL23223553 0.79 EPHX2 (0.56) EPHX2ALOX15TSHRHSD17B10CYP1A2
SCHEMBL22767940 0.79 EPHX2 (0.56) EPHX2ALOX15TSHRHSD17B10CYP1A2
SCHEMBL23136926 0.79 EPHX2 (0.56) EPHX2ALOX15TSHRHSD17B10CYP1A2
SCHEMBL17779345 0.79 EPHX2 (0.56) EPHX2ALOX15TSHRHSD17B10CYP1A2
SCHEMBL16730568 0.79 EPHX2 (0.56) EPHX2ALOX15TSHRHSD17B10CYP1A2
SCHEMBL17779380 0.79 EPHX2 (0.56) EPHX2ALOX15TSHRHSD17B10CYP1A2
SCHEMBL22767943 0.78 EPHX2 (0.47) EPHX2ALDH1A1TDP1MAPTHPGD
SCHEMBL22767782 0.78 EPHX2 (0.47) EPHX2ALDH1A1TDP1MAPTHPGD

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-11622942-B2 Benzene-1,3,5-tricarboxamide derived ester lipids and uses thereof OHIO STATE INNOVATION FOUNDATION (US) 2023-04-11 — — 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-11622942-B2 Benzene-1,3,5-tricarboxamide derived ester lipids and uses thereof LIPA, LIPC, CES1 EPHX2 324/4885L3MBTL1 698/4885CYP3A4 301/4885

“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.

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