SCHEMBL22767927

SCHEMBL22767927

CCCCC/C=C\C/C=C\CCCCCCCCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCCNC(=O)c1cc(C(=O)NCCCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)cc(C(=O)NCCCN(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TRPV1 Q8NER1 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL22767950 0.92 CNR1 (0.46) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL22391191 0.89 SMN1; SMN2 (0.57) —
SCHEMBL25124087 0.87 L3MBTL1 (0.42) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL22767943 0.85 EPHX2 (0.47) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL22767782 0.85 EPHX2 (0.47) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL16158101 0.82 CNR1 (0.52) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL24849904 0.82 POLB (0.49) MEN1KMT2A
SCHEMBL24849910 0.81 DRD2 (0.47) —
SCHEMBL22767924 0.80 EPHX2 (0.42) TRPV1MAPT
SCHEMBL25238770 0.80 SMN1; SMN2 (0.49) TRPV1

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 CNR1 116/4885ALDH1A1 456/4885HPGD 2108/4885
US-20200383930-A1 BENZENE-1,3,5-TRICARBOXAMIDE DERIVED ESTER LIPIDS AND USES THEREOF LIPA, LIPC, CES1 CNR1 116/4885ALDH1A1 456/4885HPGD 2108/4885

“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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