SCHEMBL2991078

SCHEMBL2991078

OCCCc1cc(O)cc(O)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ ACHE P22303 1/20 0.55
▸ CBS P35520 1/20 0.54
▸ LTA4H P09960 2/20 0.52
▸ TNKS2 Q9H2K2 1/20 0.48
▸ TYR P14679 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ SLC28A3 Q9HAS3 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ EPHX2 P34913 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
SCHEMBL4146590 0.90 PTGS2 (0.65) PTGS2CYP3A4ACHECBSLTA4H
SCHEMBL24650080 0.90 PTGS2 (0.65) PTGS2CYP3A4ACHECBSLTA4H
SCHEMBL17341744 0.86 PTGS2 (0.68) PTGS2CYP3A4ACHECBSLTA4H
Bisnorstriatol SCHEMBL9396838 0.83 PTGS2 (0.77) PTGS2CYP3A4ACHECBSLTA4H
SCHEMBL2987619 0.83 ACHE (0.60) PTGS2CYP3A4ACHECBSLTA4H
SCHEMBL13267737 0.83 TNKS2 (0.50) PTGS2CYP3A4LTA4HTNKS2CA2
SCHEMBL10149325 0.80 LTA4H (0.74) PTGS2CYP3A4ACHECBSLTA4H
SCHEMBL7493791 0.77 PTGS2 (0.58) PTGS2CYP3A4ACHECBSLTA4H
SCHEMBL70008 0.77 PTGS2 (0.86) PTGS2CYP3A4ACHECBSLTA4H
SCHEMBL23777443 0.77 PTGS2 (0.58) PTGS2CYP3A4ACHECBSLTA4H

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-7777073-B2 Topical delivery system for antiaging and skin whitening agents BIODERM RESEARCH (US) 2010-08-17 — — US disclosed
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 — — 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-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 PTGS2 529/4885CYP3A4 1115/4885ACHE 903/4885

“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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