SCHEMBL2980934

SCHEMBL2980934

O=C(O)[C@H](Cc1c[nH]cn1)NCCc1ccccc1O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 6/20 0.38
▸ CPB1 P15086 1/20 0.38
▸ MPO P05164 5/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ SLC6A5 Q9Y345 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ GGT1 P19440 1/20 0.32

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
SCHEMBL6239442 0.88 POLB (0.41) CPB2CPB1AKR1B1
SCHEMBL2229634 0.88 POLB (0.41) CPB2CPB1AKR1B1
SCHEMBL2974157 0.87 CPB2 (0.38) CPB2CPB1KMT2AMEN1GGT1
SCHEMBL2982881 0.86 MEN1 (0.40) CPB2CPB1KMT2AMEN1
SCHEMBL2978705 0.86 CPB2 (0.36) CPB2CPB1KMT2AMEN1
SCHEMBL1667210 0.85 GGT1 (0.42) CPB2CPB1KMT2AMEN1GGT1
SCHEMBL1667207 0.85 GGT1 (0.42) CPB2CPB1KMT2AMEN1GGT1
SCHEMBL4136375 0.81 ADRB2 (0.39) MPOADRB2SLC6A4
SCHEMBL2990818 0.79 MPO (0.53) MPOKMT2AGGT1
SCHEMBL466340 0.78 GAA (0.40) —

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 CPB2 1799/4885CPB1 1601/4885MPO 173/4885

“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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