SCHEMBL8539003

SCHEMBL8539003

CC1(C)OC[C@@H]([C@H]2OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
HPSE Q9Y251 1/20 0.36
TP53 P04637 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MAOB P27338 2/20 0.35
GRM2 Q14416 1/20 0.35
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
CTSF Q9UBX1 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL13013398 1.00 TMEM97 (0.37) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL10703049 1.00 TMEM97 (0.37) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL6853632 0.92 TMEM97 (0.36) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL13868581 0.90 HPSE (0.39) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL16950173 0.90 TMEM97 (0.38) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL10957780 0.90 OPRM1 (0.37) OPRM1OPRD1MAOBPOLBMAOA
SCHEMBL6855778 0.89 HPSE (0.34) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL17068337 0.89 TMEM97 (0.36) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL17068318 0.89 TMEM97 (0.36) TMEM97SIGMAR1HPSETP53OPRM1
SCHEMBL886854 0.88 TMEM97 (0.38) TMEM97SIGMAR1HPSETP53OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4211123-B1 ANTITUMORAL ASCORBIC ACID ESTERS SUIGENERIS FARM S L (ES) 2024-11-06 EP disclosed
CN-116724028-A Anti-tumor ascorbate 独特药妆公司 2023-09-08 CN disclosed
US-20230278974-A1 ANTITUMORAL ASCORBIC ACID ESTERS SUIGENERIS FARMACOSMETICS, S.L. (ES) 2023-09-07 US disclosed
US-20230278974-A1 ANTITUMORAL ASCORBIC ACID ESTERS SUIGENERIS FARMACOSMETICS, S.L. (ES) 2023-09-07 US disclosed
EP-4211123-A1 ANTITUMORAL ASCORBIC ACID ESTERS Suigeneris Farmacosmetics, S.L. (ES) 2023-07-19 EP disclosed
EP-3967684-A1 ANTITUMORAL ASCORBIC ACID ESTERS Suigeneris Farmacosmetics, S.L. (ES) 2022-03-16 EP disclosed
US-20150250169-A1 ASCORBIC ACID-RELATED COMPOUND AND PLANT ANTIVIRAL AGENT NIPPON SODA CO., LTD. (JP) 2015-09-10 US disclosed
EP-2902387-A1 ASCORBIC ACID-RELATED COMPOUND AND ANTI-PLANT-VIRUS AGENT Nippon Soda Co., Ltd. (JP) 2015-08-05 EP disclosed
WO-2013021105-A2 NOVEL DERIVATIVES OF FURANONES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME ASCORBIX SARL (FR) 2013-02-14 WO disclosed
US-5750516-A ANTIOXIDANT; ANTIISCHEMIC AGENT SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
EP-0768314-A1 Ascorbic acid tocopheryl phosphate diesters Senju Pharmaceutical Co., Ltd. (JP) 1997-04-16 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 (2 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-20230278974-A1 ANTITUMORAL ASCORBIC ACID ESTERS RNASE1, AKR1C3, CYP27A1 TMEM97 4472/4885SIGMAR1 2664/4885HPSE 3454/4885
US-20150250169-A1 ASCORBIC ACID-RELATED COMPOUND AND PLANT ANTIVIRAL AGENT CBR3, OSR1, OXSR1 TMEM97 3815/4885SIGMAR1 470/4885HPSE 4063/4885

“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.