SCHEMBL2797809

SCHEMBL2797809

CCC1(CC)C(=O)OC(c2cc(OC)c(O)c(OC)c2)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 5/20 0.44
PTPN1 P18031 1/20 0.41
PPARD Q03181 1/20 0.41
TP53 P04637 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.38
SIRT5 Q9NXA8 2/20 0.38
KMT2A Q03164 2/20 0.38
DPP4 P27487 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
PKM P14618 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37

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
SCHEMBL2903308 0.87 KMT2A (0.41) PTPN1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL9246592 0.82 CDK1 (0.44) ALDH1A1GAA
SCHEMBL19359096 0.75 PTPN1 (0.49) SIRT1PTPN1PPARDTP53SIRT2
SCHEMBL8104489 0.73 SIRT1 (0.40) SIRT1KMT2ACYP19A1ALDH1A1MEN1
SCHEMBL3229576 0.69 ELANE (0.46) SIRT1SIRT2SIRT5KMT2ACA2
SCHEMBL4160114 0.69 TSHR (0.38) SIRT1PTPN1PPARDTP53KMT2A
SCHEMBL361262 0.68 SIRT1 (0.37) SIRT1PTPN1PPARDTP53KMT2A
SCHEMBL10575460 0.67 PPARD (0.54) SIRT1PTPN1PPARDTP53KMT2A
SCHEMBL8408445 0.66 SLC6A4 (0.38) KMT2ACYP3A4MAPTL3MBTL1
SCHEMBL23388508 0.65 PTPN1 (0.44) SIRT1PTPN1PPARDTP53KMT2A

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
US-8765108-B2 Detergent cosmetic composition comprising at least four surfactants, at least one cationic polymer and at least one zinc salt L'OREAL (FR) 2014-07-01 US disclosed
US-20100166693-A1 DETERGENT COSMETIC COMPOSITION COMPRISING AT LEAST FOUR SURFACTANTS, AT LEAST ONE CATIONIC POLYMER AND AT LEAST ONE ZINC SALT L'OREAL S.A. (FR) 2010-07-01 US disclosed
EP-1406582-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GmbH (DE) 2004-04-14 EP disclosed
WO-2003007906-A1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GMBH (DE) 2003-01-30 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-20100166693-A1 DETERGENT COSMETIC COMPOSITION COMPRISING AT LEAST FOUR SURFACTANTS, AT LEAST ONE CATIONIC POLYMER AND AT LEAST ONE ZINC SALT KRT18, DSG1, DSC1 SIRT1 3354/4885PTPN1 185/4885PPARD 773/4885

“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.