SCHEMBL2689636

SCHEMBL2689636

CCCCCOCCC(C)(C)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
CES1 P23141 1/20 0.47
TSHR P16473 1/20 0.44
CES2 O00748 2/20 0.42
USP2 O75604 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LPAR3 Q9UBY5 3/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR2 Q9HBW0 2/20 0.34

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
SCHEMBL6257984 0.85 ALDH1A1 (0.47) HTTMEN1THRBKMT2AMAPT
SCHEMBL27387930 0.83 HTT (0.62) HTTMEN1THRBKMT2AMAPT
SCHEMBL28887397 0.83 ALDH1A1 (0.45) HTTMEN1THRBKMT2AMAPT
SCHEMBL9315416 0.83 ALDH1A1 (0.56) MEN1KMT2ATSHRALDH1A1
SCHEMBL16350412 0.82 TSHR (0.42) HTTMEN1THRBKMT2AMAPT
SCHEMBL2182488 0.81 HTT (0.48) HTTMEN1THRBKMT2AMAPT
SCHEMBL3035015 0.80 ALDH1A1 (0.47) HTTMEN1THRBKMT2AMAPT
SCHEMBL6259993 0.80 ALDH1A1 (0.53) MEN1KMT2ATSHRALDH1A1
SCHEMBL28359091 0.80 THRB (0.62) HTTMEN1THRBKMT2AMAPT
SCHEMBL2280804 0.79 HTT (0.52) HTTMEN1THRBKMT2AMAPT

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-20120115897-A1 Aryl (Ethanoic) Propanoic Acid Ascorbyl Ester, Preparation Method Thereof And Medicament Containing The Same WUXI HONGRUI BIO-PHARMA-TECH CO., LTD . (CN) 2012-05-10 US claimed
CN-109983376-A The manufacturing method of polarizing film with coat 日东电工株式会社 2019-07-05 CN disclosed
US-8703975-B2 Aryl (ethanoic) propanoic acid ascorbyl ester, preparation method thereof and medicament containing the same WUXI HONGRUI BIO-PHARMA-TECH CO., LTD. (CN) 2014-04-22 US disclosed
US-20120115897-A1 Aryl (Ethanoic) Propanoic Acid Ascorbyl Ester, Preparation Method Thereof And Medicament Containing The Same WUXI HONGRUI BIO-PHARMA-TECH CO., LTD . (CN) 2012-05-10 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-20120115897-A1 Aryl (Ethanoic) Propanoic Acid Ascorbyl Ester, Preparation Method Thereof And Medicament Containing The Same HTRA2, CYP27A1, ALOX15 HTT 260/4885MEN1 4002/4885THRB 4624/4885

“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.