SCHEMBL22767939

SCHEMBL22767939

CCCCCC/C=C/COC(=O)CCCCCCCCN(CCCCCCCCC(=O)OC/C=C/CCCCCC)CCCNC(=O)c1cc(C=O)cc(C(=O)NCCCN(CCCCCCCCC(=O)OC/C=C/CCCCCC)CCCCCCCCC(=O)OC/C=C/CCCCCC)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.43
▸ CNR2 P34972 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL22767943 0.94 EPHX2 (0.47) EPHX2CNR2MGLLTRPV1CNR1
SCHEMBL22767782 0.94 EPHX2 (0.47) EPHX2CNR2MGLLTRPV1CNR1
SCHEMBL22767924 0.89 EPHX2 (0.42) EPHX2CNR2MGLLTRPV1MAPT
SCHEMBL25238770 0.89 SMN1; SMN2 (0.49) EPHX2CNR2TRPV1
SCHEMBL22767921 0.88 DRD2 (0.41) EPHX2CNR2ALDH1A1HPGDMAPT
SCHEMBL25124092 0.88 EPHX2 (0.39) EPHX2CNR2ALDH1A1HPGDTDP1
SCHEMBL25124091 0.84 EPHX2 (0.43) EPHX2ALDH1A1HPGDMAPTTDP1
SCHEMBL24849910 0.82 DRD2 (0.47) —
SCHEMBL25124087 0.82 L3MBTL1 (0.42) TRPV1CNR1ALDH1A1HPGDMEN1
SCHEMBL22767927 0.81 CNR1 (0.50) TRPV1CNR1ALDH1A1HPGDMEN1

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-11622942-B2 Benzene-1,3,5-tricarboxamide derived ester lipids and uses thereof OHIO STATE INNOVATION FOUNDATION (US) 2023-04-11 — — US disclosed
US-20200383930-A1 BENZENE-1,3,5-TRICARBOXAMIDE DERIVED ESTER LIPIDS AND USES THEREOF OHIO STATE INNOVATION FOUNDATION 2020-12-10 — — 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 (2 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 324/4885CNR2 124/4885MGLL 56/4885
US-20200383930-A1 BENZENE-1,3,5-TRICARBOXAMIDE DERIVED ESTER LIPIDS AND USES THEREOF LIPA, LIPC, CES1 EPHX2 324/4885CNR2 124/4885MGLL 56/4885

“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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