SCHEMBL24045771

SCHEMBL24045771

CC(C)Cc1ccc(C(C)C(=O)NCCCC(=O)Nc2ccc(O)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.82
GAA P10253 1/20 0.70
MAPT P10636 1/20 0.70
CRHBP P24387 1/20 0.70
CRHR2 Q13324 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
APP P05067 1/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA4 P22748 3/20 0.51
CA9 Q16790 3/20 0.51
FAAH O00519 1/20 0.50
PTGS2 P35354 1/20 0.50
CHRM1 P11229 1/20 0.50
PDE4A P27815 1/20 0.50

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
SCHEMBL24045774 0.93 MAPT (0.73) TRPV1GAAMAPTCRHBPCRHR2
SCHEMBL24045897 0.86 MAPT (0.76) TRPV1GAAMAPTCRHBPCRHR2
SCHEMBL24045924 0.80 TRPV1 (0.72) TRPV1APPBCHEACHECA12
SCHEMBL24045908 0.78 MAPT (0.79) TRPV1GAAMAPTCRHBPCRHR2
SCHEMBL16190249 0.78 TRPV1 (0.64) TRPV1APPBCHEACHECA12
SCHEMBL24045916 0.77 MAPT (0.82) TRPV1GAAMAPTCRHBPCRHR2
SCHEMBL21563238 0.77 TRPV1 (0.64) TRPV1APPBCHEACHECA12
SCHEMBL15206243 0.76 TRPV1 (0.62) TRPV1APPBCHEACHECA12
SCHEMBL13361030 0.76 TRPV1 (0.62) TRPV1APPBCHEACHECA12
SCHEMBL31119849 0.76 TRPV1 (0.66) TRPV1APPBCHEACHECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361597-A1 Synthesis of Ibuprofen Hybrid Conjugates as Anti-Inflammatory and Analgesic Agents AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2021-11-25 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-20210361597-A1 Synthesis of Ibuprofen Hybrid Conjugates as Anti-Inflammatory and Analgesic Agents PTGES, DNPEP, PTGES2 TRPV1 233/4885GAA 2652/4885MAPT 1656/4885

“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.