SCHEMBL2068438

SCHEMBL2068438

CC(CO)O[C@]1([C@@H](O)CO)OC(=O)C(O)=C1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
IDO1 P14902 1/20 0.33
MAOA P21397 2/20 0.32
PRKCA P17252 1/20 0.32
IDH1 O75874 1/20 0.32
CYP1A2 P05177 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGS2 P35354 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HIF1A Q16665 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAOB P27338 3/20 0.32
SLC16A3 O15427 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
SCHEMBL6109735 0.76 IDO1 (0.37) LMNAIDO1PRKCAIDH1CYP1A2
SCHEMBL24848367 0.69 MAOA (0.36) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL647501 0.61 TRPA1 (0.48) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL3813606 0.61 TRPA1 (0.48) LMNAALDH1A1HPGDTSHRMAPK1
SCHEMBL647500 0.61 TRPA1 (0.48) LMNAALDH1A1HPGDTSHRMAPK1
Benzylphenylether SCHEMBL16443386 0.61 LMNA (0.58) LMNAMAOACYP1A2PTGS1SLC6A2
SCHEMBL9406694 0.61 LMNA (0.58) LMNAMAOACYP1A2PTGS1SLC6A2
SCHEMBL9406682 0.61 LMNA (0.58) LMNAMAOACYP1A2PTGS1SLC6A2
SCHEMBL21110938 0.59 TYR (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7078672 0.59 TYR (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19

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
EP-2189452-B1 ASCORBIC ACID DERIVATIVES AND SALTS THEREOF, PROCESS FOR THEIR PRODUCTION, AND COSMETIC PREPARATIONS THEREOF SEIWA KASEI CO LTD (JP) 2012-11-21 EP disclosed
US-8163939-B2 Ascorbic acid derivative or salt thereof, production method thereof, and cosmetic Seikwa Kasei Company, Limited (JP) 2012-04-24 US disclosed
US-20110059034-A1 ASCORBIC ACID DERIVATIVE OR SALT THEREOF, PRODUCTION METHOD THEREOF, AND COSMETIC SEIWA KASEI COMPANY, LIMITED (JP) 2011-03-10 US disclosed
EP-2189452-A1 ASCORBIC ACID DERIVATIVE OR SALT THEREOF, METHOD FOR PRODUCING THE SAME, AND COSMETIC PREPARATION Seiwa Kasei Company, Limited (JP) 2010-05-26 EP 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-20110059034-A1 ASCORBIC ACID DERIVATIVE OR SALT THEREOF, PRODUCTION METHOD THEREOF, AND COSMETIC CYP2R1, CYP24A1, RARA LMNA 1946/4885ALDH1A1 89/4885HPGD 193/4885

“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.