SCHEMBL29325811

SCHEMBL29325811

CB(C)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CA2 P00918 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
ALOX15 P16050 3/20 0.47
LMNA P02545 3/20 0.47
NPC1 O15118 3/20 0.47
EGFR P00533 2/20 0.47
FYN P06241 2/20 0.47
MMP9 P14780 2/20 0.47
HPGD P15428 2/20 0.47
RECQL P46063 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
CA4 P22748 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA12 O43570 1/20 0.47
GMNN O75496 1/20 0.47
POLB P06746 1/20 0.47
CA3 P07451 1/20 0.47

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
SCHEMBL24092888 0.81 ALDH1A1 (0.45) ALDH1A1CA2TDP1ALOX15LMNA
SCHEMBL29418123 0.80 ALDH1A1 (0.50) ALDH1A1CA2TDP1ALOX15LMNA
SCHEMBL165536 0.80 ALDH1A1 (0.50) ALDH1A1CA2TDP1ALOX15LMNA
SCHEMBL19439570 0.78 ENPP2 (0.38) CA2TDP1LMNACA4CA12
SCHEMBL29420321 0.78 ALDH1A1 (0.47) ALDH1A1CA2TDP1ALOX15LMNA
SCHEMBL23638942 0.72 ENPP2 (0.46) ALDH1A1CA2TDP1ALOX15LMNA
SCHEMBL14379309 0.71 GSK3B (0.35) ALDH1A1TDP1ALOX15LMNANPC1
SCHEMBL22182310 0.70 ALDH1A1 (0.45) ALDH1A1CA2TDP1ALOX15LMNA
SCHEMBL187525 0.69 TSHR (0.50) ALDH1A1CA2TDP1LMNAHSD17B10
Catechol SCHEMBL6544958 0.68 ALDH1A1 (0.83) ALDH1A1CA2TDP1ALOX15LMNA

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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NICO THERAPEUTICS, INC. 2024-07-18 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-20240239758-A1 SUBSTITUTED TRIAZINE COMPOUND NLRP3, NLRP1, PYCARD ALDH1A1 1683/4885CA2 3105/4885TDP1 548/4885

“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.