SCHEMBL3421040

SCHEMBL3421040

C=C(OCc1ccccc1)[C](OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.46
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
IDO1 P14902 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
AGXT P21549 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL19057196 0.89 ALDH1A1 (0.56) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL9926611 0.81 ALDH1A1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL7721871 0.81 ALDH1A1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL4246837 0.79 ALDH1A1 (0.56) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL21602399 0.79 ALDH1A1 (0.52) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL3463123 0.78 ALDH1A1 (0.55) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL23899723 0.76 ALDH1A1 (0.53) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL19901925 0.76 ALDH1A1 (0.48) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL8259800 0.76 ALDH1A1 (0.52) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL14530533 0.76 ALDH1A1 (0.52) ALDH1A1TDP1SLC6A2SLC6A3MAPK1

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-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS GE HEALTHCARE AS (NO) 2010-03-25 US claimed
US-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS GE HEALTHCARE AS (NO) 2010-03-25 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-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS PNPO, PGD, PDXK ALDH1A1 1170/4885TDP1 2704/4885SLC6A2 928/4885

“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.