SCHEMBL6100796

SCHEMBL6100796

O=C1c2c(c(O)c3nccnc3c2O)C(=O)N1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
PTPRF P10586 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPRB P23467 1/20 0.42
ACP1 P24666 1/20 0.42
CHRM5 P08912 1/20 0.41
FEN1 P39748 2/20 0.40
ERCC5 P28715 1/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
LTA4H P09960 1/20 0.40
P2RX3 P56373 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
CASP3 P42574 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
SCHEMBL5793964 0.85 FAAH (0.49) FAAHMGLLALDH1A1MEN1KMT2A
SCHEMBL6100789 0.84 CMA1 (0.53) PTPN1CHRM5ALDH1A1MEN1KMT2A
SCHEMBL6100708 0.81 CHRM5 (0.48) CHRM5FEN1
SCHEMBL5766292 0.81 CA12 (0.41) ALDH1A1MEN1KMT2AEGLN1
SCHEMBL6102631 0.80 CHRM5 (0.41) CHRM5
SCHEMBL6101383 0.80 CA1 (0.40) FAAHMGLLALDH1A1MEN1KMT2A
SCHEMBL6099606 0.80 GAA (0.41) MEN1KMT2A
SCHEMBL4150996 0.80 CYP1A2 (0.51) ALDH1A1CASP3
SCHEMBL6099694 0.79 CYP1B1 (0.41) FEN1ALDH1A1MEN1KMT2A
SCHEMBL6101670 0.78 KDM4E (0.42) ALDH1A1MEN1KMT2A

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-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 PTPN1 2058/4885PTPRF 4403/4885PTPN2 2100/4885

“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.