SCHEMBL22829697

SCHEMBL22829697

C[n+]1ccc(C(O)=Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 5/20 0.55
SLC22A2 O15244 1/20 0.45
SLC22A1 O15245 1/20 0.45
SLC22A3 O75751 1/20 0.45
SLC6A4 P31645 1/20 0.45
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3A P31941 2/20 0.40
APOBEC3G Q9HC16 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
AKR1C3 P42330 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL22829693 0.81 CHAT (0.52) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL389392 0.80 AKR1C1 (0.54) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL368124 0.80 AKR1C1 (0.54) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL918848 0.80 AKR1C1 (0.54) MAPTRAB9ASMN1; SMN2MEN1NPC1
SCHEMBL7772471 0.78 CHAT (0.48) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL9777568 0.72 CHAT (1.00) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL3318878 0.72 CHAT (1.00) CHATSLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL9858496 0.71 MAPT (0.58) MAPTRAB9ASMN1; SMN2MEN1NPC1
Bromide SCHEMBL29216857 0.70 CHAT (0.95) CHATSLC22A2SLC22A1SLC22A3SLC6A4
Styrene SCHEMBL2988659 0.68 HDAC8 (0.82) CHATSLC22A2SLC22A1SLC22A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11629128-B2 Compound and dimer complex embodiments for supramolecular sensing UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2023-04-18 US disclosed
US-20200407318-A1 COMPOUND AND DIMER COMPLEX EMBODIMENTS FOR SUPRAMOLECULAR SENSING UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2020-12-31 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 (2 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-11629128-B2 Compound and dimer complex embodiments for supramolecular sensing OPRM1, CNR2, CNR1 CHAT 1177/4885SLC22A2 4673/4885SLC22A1 4740/4885
US-20200407318-A1 COMPOUND AND DIMER COMPLEX EMBODIMENTS FOR SUPRAMOLECULAR SENSING OPRM1, CNR2, CNR1 CHAT 1177/4885SLC22A2 4673/4885SLC22A1 4740/4885

“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.