SCHEMBL765486

SCHEMBL765486

CC(C)c1ccc(-c2ccc(O)cc2)c(F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.68
APP P05067 3/20 0.68
CYP2C9 P11712 2/20 0.68
CYP3A4 P08684 1/20 0.68
AKR1C3 P42330 7/20 0.51
AKR1C2 P52895 7/20 0.51
PTGS1 P23219 3/20 0.51
PTGS2 P35354 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51
PSENEN Q9NZ42 2/20 0.51
FABP2 P12104 1/20 0.51
TSHR P16473 1/20 0.51
AKR1C4 P17516 1/20 0.51
ADRA2B P18089 1/20 0.51

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
SCHEMBL9261774 0.89 AKR1C3 (0.53) CYP2C19APPCYP2C9CYP3A4AKR1C3
SCHEMBL29020110 0.86 APP (0.64) CYP2C19APPCYP2C9CYP3A4AKR1C3
SCHEMBL12570868 0.85 AKR1C3 (0.50) CYP2C19APPCYP2C9CYP3A4AKR1C3
SCHEMBL9285170 0.84 LMNA (0.51) CYP2C19APPCYP2C9CYP3A4AKR1C3
SCHEMBL10593081 0.83 TRPA1 (0.53) CYP2C19APPCYP2C9CYP3A4PTGS1
SCHEMBL29634557 0.83 LMNA (0.50) CYP2C19APPCYP2C9CYP3A4PTGS1
SCHEMBL2868070 0.83 LMNA (0.50) CYP2C19APPCYP2C9CYP3A4PTGS1
4'-Hydroxyflurbiprofen SCHEMBL7040151 0.82 APP (0.97) CYP2C19APPCYP2C9CYP3A4AKR1C3
4'-Hydroxyflurbiprofen SCHEMBL6450842 0.82 APP (0.97) CYP2C19APPCYP2C9CYP3A4AKR1C3
SCHEMBL17524312 0.82 APP (0.81) CYP2C19APPCYP2C9CYP3A4AKR1C3

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-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
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
EP-2431361-A1 ASCORBIC ACID ARYL ACETATE/PROPIONATE ESTER, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF Wuxi Hongrui Biomedical Technology Co., Ltd. (CN) 2012-03-21 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-20120115897-A1 Aryl (Ethanoic) Propanoic Acid Ascorbyl Ester, Preparation Method Thereof And Medicament Containing The Same HTRA2, CYP27A1, ALOX15 CYP2C19 398/4885APP 28/4885CYP2C9 500/4885

“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.