SCHEMBL22490420

SCHEMBL22490420

CC(C)[C@H](CC=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RCE1 Q9Y256 1/20 0.41
MAPT P10636 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CTSB P07858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CTSL P07711 1/20 0.36

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
SCHEMBL22490419 1.00 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL23867741 0.85 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL19043738 0.85 MEN1 (0.40) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL16177521 0.83 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL20756666 0.83 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL20743832 0.83 RCE1 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL16176950 0.83 RCE1 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL19760189 0.83 RCE1 (0.41) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL11577777 0.82 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL10507146 0.81 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A

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-20230037322-A1 Cytotoxic Actin-Targeting Compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-02-09 US disclosed
US-20230037322-A1 Cytotoxic Actin-Targeting Compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-02-09 US disclosed
US-11369594-B2 Cytotoxic actin-targeting compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-06-28 US disclosed
US-20200306233-A1 Cytotoxic Actin-Targeting Compounds QUEEN'S UNIVERSITY AT KINGSTON (CA) 2020-10-01 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-20230037322-A1 Cytotoxic Actin-Targeting Compounds ACTB, ACTR2, MYC SLC1A3 4796/4885SLC1A2 4871/4885SLC1A1 4805/4885
US-11369594-B2 Cytotoxic actin-targeting compounds ACTB, ACTR2, MYC SLC1A3 4796/4885SLC1A2 4871/4885SLC1A1 4805/4885
US-20200306233-A1 Cytotoxic Actin-Targeting Compounds ACTB, ACTR2, MYC SLC1A3 4796/4885SLC1A2 4871/4885SLC1A1 4805/4885

“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.