SCHEMBL21250130

SCHEMBL21250130

NCCCCCC(=O)OCCOC(=O)CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 10/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ PTPRC P08575 2/20 0.35
▸ PTPN13 Q12923 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ MMP2 P08253 1/20 0.33

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
SCHEMBL17345436 0.92 STAT3 (0.51) STAT3ALDH1A1POLBMEN1MAPT
SCHEMBL18731163 0.92 STAT3 (0.38) STAT3ALDH1A1ITGB3ITGA2BPTPRC
SCHEMBL21250136 0.87 STAT3 (0.48) STAT3ALDH1A1PTPRCPOLBMEN1
SCHEMBL18807136 0.87 STAT3 (0.44) STAT3ALDH1A1GRIN1GRIN2AGRIN2B
SCHEMBL18731231 0.87 STAT3 (0.52) STAT3ALDH1A1POLBMEN1MAPT
SCHEMBL18822677 0.87 STAT3 (0.52) STAT3ALDH1A1POLBMEN1MAPT
SCHEMBL18807133 0.85 STAT3 (0.48) STAT3ALDH1A1L3MBTL1CASP6
SCHEMBL18807134 0.85 STAT3 (0.48) STAT3ALDH1A1L3MBTL1CASP6
SCHEMBL17345448 0.85 STAT3 (0.50) STAT3ALDH1A1POLBMEN1MAPT
SCHEMBL18731151 0.84 STAT3 (0.53) STAT3ALDH1A1PTPRCPTPN13MAPT

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-10377730-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2019-08-13 — — 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-10377730-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885ITGB3 4718/4885

“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.

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