SCHEMBL4906052

SCHEMBL4906052

COC(=O)c1cc(C)c(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.55
CA1 P00915 5/20 0.55
CA2 P00918 5/20 0.55
CA7 P43166 5/20 0.55
CA9 Q16790 5/20 0.55
CA14 Q9ULX7 5/20 0.55
PDK2 Q15119 1/20 0.55
PDK4 Q16654 1/20 0.55
GAA P10253 4/20 0.52
MYC P01106 1/20 0.49
CYP3A4 P08684 2/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.46
POLB P06746 3/20 0.45
KDM4E B2RXH2 3/20 0.45
XDH P47989 2/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL9128543 0.92 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL8980551 0.89 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL730244 0.88 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1538335 0.87 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL2535117 0.85 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1109633 0.84 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL27501597 0.84 KDM4E (0.59) CA12CA1CA2CA7CA9
SCHEMBL2318133 0.83 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL27902660 0.83 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL17010320 0.82 ABL1 (0.46) CA12CA1CA2CA7CA9

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-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction BIODERM RESEARCH (US) 2008-10-16 US disclosed
US-20050271608-A1 Skin whitening compositions based on hydroxyaryl alkyl ketones and their isosteric derivatives GUPTA SHYAM K 2005-12-08 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-20080254130-A1 Skin Antiaging & Brightening via Multi-function Treatment of Enzyme Dysfunction PSMB1, PLOD3, CUTA CA12 4776/4885CA1 4867/4885CA2 4627/4885

“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.