SCHEMBL12680289

SCHEMBL12680289

CCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCC)C(=O)NC(CCCCNC(=O)CCc1ccc(O)cc1)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.48
▸ CHRND Q07001 6/20 0.48
▸ CHRNA1 P02708 2/20 0.48
▸ CHRNG P07510 2/20 0.48
▸ CHRNB1 P11230 2/20 0.48
▸ NPY5R Q15761 7/20 0.47
▸ NPY4R P50391 7/20 0.47
▸ NPY1R P25929 6/20 0.47
▸ NPY2R P49146 4/20 0.47
▸ GRIA1 P42261 2/20 0.44

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
SCHEMBL13347257 0.84 TLR2 (0.56) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL12680258 0.84 TLR2 (0.56) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14903000 0.83 GLP1R (0.49) ALBCHRNDCHRNA1CHRNGCHRNB1
SCHEMBL13371966 0.82 GLP1R (0.48) ALB
SCHEMBL45887 0.79 GLP1R (0.57) ALB
SCHEMBL13347258 0.78 TLR2 (0.49) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL14037925 0.78 FOLH1 (0.47) ALB
SCHEMBL13347272 0.77 GLP1R (0.48) —
SCHEMBL14012491 0.77 FOLH1 (0.46) ALB
SCHEMBL26428992 0.76 NPY4R (0.49) NPY5RNPY4RNPY1RNPY2RGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273325-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-09-25 — — US disclosed
US-8273325-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-09-25 — — US disclosed
US-20100111865-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-05-06 — — US disclosed
US-20100111865-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-05-06 — — 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-20100111865-A1 CONTRAST AGENTS CSGALNACT1, HPSE, SERPINC1 ALB 988/4885CHRND 4368/4885CHRNA1 4111/4885

“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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