SCHEMBL12017025

SCHEMBL12017025

CCCOCCOCCOC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 8/20 0.61
▸ ALOX15 P16050 1/20 0.60
▸ ACE P12821 3/20 0.59
▸ ITGB2 P05107 1/20 0.57
▸ ICAM1 P05362 1/20 0.57
▸ ITGAL P20701 1/20 0.57
▸ TACR1 P25103 1/20 0.56
▸ ECE1 P42892 3/20 0.55
▸ FPR2 P25090 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPK1 P28482 1/20 0.55

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
SCHEMBL12017027 0.92 NMBR (0.61) NMBRALOX15ACEITGB2ICAM1
SCHEMBL8785114 0.89 KCNA5 (0.63) NMBRALOX15ACEITGB2ICAM1
SCHEMBL3820631 0.89 KCNA5 (0.63) NMBRALOX15ACEITGB2ICAM1
SCHEMBL4612012 0.89 KCNA5 (0.63) NMBRALOX15ACEITGB2ICAM1
SCHEMBL12017029 0.88 NMBR (0.64) NMBRALOX15ACEITGB2ICAM1
SCHEMBL11370918 0.87 ALOX15 (0.67) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL11370921 0.87 ALOX15 (0.67) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL29062752 0.86 NMBR (0.74) NMBRALOX15ACE
SCHEMBL29062748 0.86 NMBR (0.74) NMBRALOX15ACE
Hydrochloric Acid SCHEMBL27463103 0.86 ALOX15 (0.66) ALOX15ACEITGB2ICAM1ITGAL

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-20120219538-A1 STABILIZED PROTEIN FORMULATIONS AND USE THEREOF THERAPEOMIC AG (CH) 2012-08-30 — — 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-20120219538-A1 STABILIZED PROTEIN FORMULATIONS AND USE THEREOF TTR, ALB, CRYZ NMBR 2950/4885ALOX15 4039/4885ACE 1920/4885

“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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