SCHEMBL2978710

SCHEMBL2978710

O=C(O)[C@H](Cc1cnc[nH]1)NCCc1cc(O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ CA1 P00915 3/20 0.46
▸ CA2 P00918 3/20 0.46
▸ ITGB2 P05107 3/20 0.46
▸ ICAM1 P05362 3/20 0.46
▸ ITGAL P20701 3/20 0.46
▸ SLC7A5 Q01650 1/20 0.43
▸ SLC15A2 Q16348 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ GGT1 P19440 1/20 0.41
▸ NLN Q9BYT8 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ AGTR2 P50052 1/20 0.40

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
SCHEMBL2982886 0.91 CYP3A4 (0.49) CYP3A4ALDH1A1CYP1A2CYP2C19CA1
SCHEMBL2980936 0.86 CYP3A4 (0.51) CYP3A4ALDH1A1CYP1A2CYP2C19CA1
SCHEMBL2974165 0.81 ITGB2 (0.54) CYP3A4ALDH1A1CYP1A2CYP2C19CA1
SCHEMBL1667212 0.79 ALDH1A1 (0.54) CYP3A4ALDH1A1CYP1A2CYP2C19ITGB2
SCHEMBL2976460 0.78 NAALAD2 (0.48) CYP3A4ALDH1A1CYP1A2CYP2C19CA1
SCHEMBL2985265 0.78 EGFR (0.43) CYP3A4ALDH1A1CYP1A2CYP2C19CA1
SCHEMBL2978705 0.78 CPB2 (0.36) CYP3A4ALDH1A1CYP1A2CYP2C19HIF1A
SCHEMBL2984586 0.77 ITGA4 (0.45) —
SCHEMBL6239445 0.77 ITGB2 (0.52) CYP3A4ALDH1A1CYP1A2CYP2C19CA1
SCHEMBL2982577 0.77 EGFR (0.44) CYP3A4ALDH1A1CYP1A2CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 — — US claimed
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 CYP3A4 1115/4885ALDH1A1 567/4885CYP1A2 277/4885

“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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