SCHEMBL23944461

SCHEMBL23944461

CN(C(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
ABCB1 P08183 1/20 0.46
HCAR2 Q8TDS4 1/20 0.45
CCR6 P51684 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL25901621 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDTDP1
SCHEMBL1285759 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTHPGDTDP1
SCHEMBL4450501 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTHPGDTDP1
SCHEMBL22326382 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTHPGDTDP1
SCHEMBL22780788 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTHPGDTDP1
SCHEMBL13397665 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDTDP1
SCHEMBL13300890 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTHPGDTDP1
SCHEMBL2188086 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTHPGDTDP1
SCHEMBL8615968 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTHPGDTDP1
SCHEMBL25178599 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4047012-A1 ANTIMICROBIAL CATIONIC PEPTOID AND N-SUBTITUTED PEPTIDIC COPOLYMERS, PREPARATION AND USES THEREOF Université de Bordeaux (FR) 2022-08-24 EP disclosed
US-20210323913-A1 SIGMA RECEPTOR BINDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-10-21 US disclosed
CN-1449380-A Phenoxybenzylamine derivatives as selective serotonin re-uptake inhibitors PFIZER LTD (US) 2003-10-15 CN 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-20210323913-A1 SIGMA RECEPTOR BINDERS SIGMAR1, OPRK1, OPRL1 ALDH1A1 431/4885SMN1; SMN2 715/4885MAPT 373/4885

“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.