SCHEMBL23116262

SCHEMBL23116262

CC(C)(C)N(Cc1ccc(CBr)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 4/20 0.51
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
AKT1 P31749 1/20 0.37
TRPA1 O75762 1/20 0.37
RIPK1 Q13546 2/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1684422 0.85 MEN1 (0.55) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL1935745 0.84 MEN1 (0.46) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL356816 0.83 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL18527956 0.83 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL8773482 0.82 MEN1 (0.69) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL335254 0.81 MEN1 (0.50) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL23931825 0.81 MEN1 (0.50) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL15328453 0.81 MEN1 (0.50) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL16989291 0.79 MEN1 (0.39) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL2209892 0.79 HTT (0.51) MEN1KMT2ALMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024089261-A1 COMPOUNDS FOR DETECTION OF ORAL INFLAMMATION JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2024-05-02 WO disclosed
EP-4360658-A1 COMPOUNDS FOR DETECTION OF ORAL INFLAMMATION Julius-Maximilians-Universität Würzburg (DE) 2024-05-01 EP disclosed
US-11891352-B2 Aminomethyl-functionalized denatonium derivatives, their preparation and use JULIUS-MAXIMILIANS-UNIVERSITAET (DE) 2024-02-06 US disclosed
EP-3755685-B1 AMINOMETHYL-FUNCTIONALIZED DENATONIUM DERIVATIVES, THEIR PREPARATION AND USE UNIV WUERZBURG J MAXIMILIANS (DE) 2023-04-05 EP disclosed
US-20230091608-A1 COMPOUND AND DIAGNOSTIC SYSTEM COMPRISING SAID COMPOUND FOR THE GUSTATORY DETECTION OF INFLAMMATIONS IN THE ORAL CAVITY JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2023-03-23 US disclosed
US-20210087138-A1 AMINOMETHYL-FUNCTIONALIZED DENATONIUM DERIVATIVES, THEIR PREPARATION AND USE JULIUS-MAXIMILIANS-UNIVERSITAET WUERZBURG (DE) 2021-03-25 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 (3 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-20230091608-A1 COMPOUND AND DIAGNOSTIC SYSTEM COMPRISING SAID COMPOUND FOR THE GUSTATORY DETECTION OF INFLAMMATIONS IN THE ORAL CAVITY TAS2R20, TAS2R10, TAS2R40 MEN1 3961/4885KMT2A 4835/4885LMNA 3592/4885
US-11891352-B2 Aminomethyl-functionalized denatonium derivatives, their preparation and use F10, F11, HRH4 MEN1 3943/4885KMT2A 4633/4885LMNA 2318/4885
US-20210087138-A1 AMINOMETHYL-FUNCTIONALIZED DENATONIUM DERIVATIVES, THEIR PREPARATION AND USE F10, F11, HRH4 MEN1 3943/4885KMT2A 4633/4885LMNA 2318/4885

“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.