SCHEMBL29311525

SCHEMBL29311525

O=C(Cc1ccccc1)OCCCOS

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MAPK1 P28482 1/20 0.58
PAM P19021 2/20 0.56
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 2/20 0.46
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
ALOX5 P09917 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
MGLL Q99685 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL4570308 0.91 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL13291851 0.87 ALDH1A1 (0.68) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL4911689 0.85 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL1434644 0.83 ALDH1A1 (0.73) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL28395073 0.83 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL3396096 0.82 LMNA (0.66) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL8180121 0.82 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL4207976 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL456516 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1PAMTDP1
SCHEMBL27546859 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1PAMTDP1

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-20240226094-A1 ALPHA PROTEIN KINASE 1 INHIBITORS FOR USE IN TREATING KAWASAKI DISEASE XU, Cong (CN) 2024-07-11 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-20240226094-A1 ALPHA PROTEIN KINASE 1 INHIBITORS FOR USE IN TREATING KAWASAKI DISEASE PHKA1, PHKA2, PHKG1 ALDH1A1 3290/4885L3MBTL1 3174/4885MAPK1 231/4885

“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.