SCHEMBL4384791

SCHEMBL4384791

NCCCCCCCCCCC(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.49
▸ ITGA2B P08514 4/20 0.49
▸ LTA4H P09960 1/20 0.47
▸ CPB2 Q96IY4 3/20 0.47
▸ EPOR P19235 2/20 0.46
▸ ECE1 P42892 1/20 0.45
▸ CPB1 P15086 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43

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
SCHEMBL7166074 1.00 ITGB3 (0.49) ITGB3ITGA2BLTA4HCPB2EPOR
SCHEMBL5241716 0.98 LTA4H (0.48) ITGB3ITGA2BLTA4HCPB2EPOR
SCHEMBL11588837 0.94 ALDH1A1 (0.47) ITGB3ITGA2BLTA4HEPORALDH1A1
SCHEMBL8643591 0.87 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL5242448 0.87 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL34463650 0.85 LTA4H (0.47) ITGB3ITGA2BLTA4HCPB2EPOR
SCHEMBL27635585 0.85 SLC1A1 (0.50) LTA4HALDH1A1KMT2ATDP1
SCHEMBL8618743 0.85 LTA4H (0.56) ITGB3ITGA2BLTA4HEPORALDH1A1
SCHEMBL27635584 0.85 SLC1A1 (0.50) LTA4HALDH1A1KMT2ATDP1
Hydrochloric Acid SCHEMBL6671170 0.84 LTA4H (0.55) ITGB3ITGA2BLTA4HEPOR

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
EP-1314033-B1 IMMOBILISED PHOSPHATIDIC ACID PROBE HOLMES ANDREW BRUCE (GB) 2009-11-18 — — EP disclosed
US-20040072244-A1 Immobilised phosphatidic acid probe HOLMES, ANDREW BRUCE (GB) 2004-04-15 — — US disclosed
EP-1314033-A2 IMMOBILISED PHOSPHATIDIC ACID PROBE THE BABRAHAM INSTITUTE (GB) 2003-05-28 — — EP disclosed
WO-2002018946-A2 IMMOBILISED PHOSPHATIDIC ACID PROBE THE BABRAHAM INSTITUTE (GB) 2002-03-07 — — WO 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-20040072244-A1 Immobilised phosphatidic acid probe SGMS2, CHRM2, MBOAT1 ITGB3 916/4885ITGA2B 1289/4885LTA4H 673/4885

“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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