SCHEMBL9965104

SCHEMBL9965104

CCC(=O)C(O)C(O)C(O)C(O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
CYP2C9 P11712 1/20 0.56
PDE4A P27815 1/20 0.50
ALDH1A1 P00352 1/20 0.38
FFAR3 O14843 1/20 0.36
TP53 P04637 1/20 0.35
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
LMNA P02545 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
SCHEMBL8507977 1.00 TSHR (0.56) TSHRCYP2C9PDE4AALDH1A1FFAR3
SCHEMBL9965103 0.84 TSHR (0.56) TSHRCYP2C9PDE4AALDH1A1FFAR3
SCHEMBL9463777 0.84 CYP2C9 (0.46) TSHRCYP2C9ALDH1A1FFAR3TDP1
Mucic Acid SCHEMBL27648912 0.82 FFAR3 (0.53) TSHRCYP2C9PDE4AALDH1A1FFAR3
Mucic Acid SCHEMBL6672352 0.81 PDE4A (0.56) TSHRCYP2C9PDE4AALDH1A1FFAR3
SCHEMBL16620971 0.80 TSHR (0.34) TSHRCYP2C9PDE4AALDH1A1FFAR3
SCHEMBL28137936 0.80 TSHR (0.34) TSHRCYP2C9PDE4AALDH1A1FFAR3
SCHEMBL17545491 0.80 TDP1 (0.36) TSHRCYP2C9PDE4AALDH1A1FFAR3
Mucic Acid SCHEMBL3514596 0.78 TSHR (0.69) TSHRCYP2C9PDE4AALDH1A1TP53
Mucic Acid SCHEMBL17594183 0.78 TSHR (0.69) TSHRCYP2C9PDE4AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117567636-A Anti-ethyl glucuronic acid monoclonal antibody, application and product thereof 杭州旭科生物技术有限公司 2024-02-20 CN claimed
CN-114660299-A Biomarker and kit for diagnosing or preventing liver injury and application of biomarker and kit 中南大学 2022-06-24 CN claimed
CN-117807561-A Method for acquiring substance concentration prediction model, urine substance detection method and system 杉木(深圳)生物科技有限公司 2024-04-02 CN disclosed
CN-117567636-A Anti-ethyl glucuronic acid monoclonal antibody, application and product thereof 杭州旭科生物技术有限公司 2024-02-20 CN disclosed
CN-114929391-A Microfluidic systems, devices and methods 毕速股份有限公司 2022-08-19 CN disclosed
CN-114660299-A Biomarker and kit for diagnosing or preventing liver injury and application of biomarker and kit 中南大学 2022-06-24 CN disclosed
US-20130059807-A1 BILE ACID RECYCLING INHIBITORS AND SATIOGENS FOR TREATMENT OF DIABETES, OBESITY, AND INFLAMMATORY GASTROINTESTINAL CONDITIONS SATIOGEN PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20130034536-A1 Bile Acid Recycling Inhibitors for Treatment of Pancreatitis Lumena Pharmaceuticals, Inc. (US) 2013-02-07 US disclosed
US-20120157399-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF OBESITY AND DIABETES SATIOGEN PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
US-20100130472-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF OBESITY AND DIABETES SATIOGEN PHARMACEUTICALS, INC. (US) 2010-05-27 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 (4 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-20120157399-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF OBESITY AND DIABETES SLC10A1, SLC10A2, ABCB11 TSHR 1089/4885CYP2C9 1684/4885PDE4A 1107/4885
US-20130059807-A1 BILE ACID RECYCLING INHIBITORS AND SATIOGENS FOR TREATMENT OF DIABETES, OBESITY, AND INFLAMMATORY GASTROINTESTINAL CONDITIONS SLC10A2, GPR119, GPBAR1 TSHR 968/4885CYP2C9 3391/4885PDE4A 2820/4885
US-20130034536-A1 Bile Acid Recycling Inhibitors for Treatment of Pancreatitis SLC10A2, SLC10A1, NR1H4 TSHR 297/4885CYP2C9 4523/4885PDE4A 453/4885
US-20100130472-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF OBESITY AND DIABETES SLC10A1, SLC10A2, ABCB11 TSHR 1089/4885CYP2C9 1684/4885PDE4A 1107/4885

“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.