SCHEMBL4921603

SCHEMBL4921603

O=c1c(=O)c2ccccc2c1=O.[Cu]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 4/20 0.46
GAA P10253 3/20 0.46
HSD17B10 Q99714 3/20 0.46
GLA P06280 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
ATM Q13315 1/20 0.46
CYP3A4 P08684 1/20 0.46
PGAM1 P18669 1/20 0.46
MAOA P21397 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
S100A4 P26447 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 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
SCHEMBL17987 0.96 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL6050558 0.96 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL29362920 0.96 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL5536637 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
Water SCHEMBL29662270 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
Water SCHEMBL1512563 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
Water SCHEMBL592692 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL30139899 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4930798 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
Water SCHEMBL28087086 0.93 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA

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-20080248583-A1 Quantitative and Qualitative Chelation Measuring Methods and Materials ALBION LABORATORIES, INC. (US) 2008-10-09 US disclosed
WO-2006034195-A2 QUANTITATIVE AND QUALITATIVE CHELATION MEASURING METHODS AND MATERIALS ALBION LABORATORIES, INC. (US) 2006-03-30 WO 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-20080248583-A1 Quantitative and Qualitative Chelation Measuring Methods and Materials AAAS, LIG4, HAMP ALDH1A1 2323/4885MAPT 3346/4885SMN1; SMN2 4736/4885

“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.