SCHEMBL17345539

SCHEMBL17345539

O=C(CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O)OCC(O)CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 8/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ TDP2 O95551 3/20 0.41
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ CDC25B P30305 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALK Q9UM73 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL17345541 1.00 STAT3 (0.51) STAT3ALDH1A1TDP2LMNAMAPT
SCHEMBL17345530 1.00 STAT3 (0.51) STAT3ALDH1A1TDP2LMNAMAPT
SCHEMBL17345534 0.92 STAT3 (0.46) STAT3ALDH1A1TDP2LMNAMAPT
SCHEMBL17345538 0.90 STAT3 (0.46) STAT3ALDH1A1TDP2LMNAMAPT
SCHEMBL18807112 0.90 STAT3 (0.53) STAT3ALDH1A1TDP2LMNAMAPT
SCHEMBL17345528 0.90 STAT3 (0.50) STAT3ALDH1A1TDP2LMNAMAPT
SCHEMBL17345529 0.89 STAT3 (0.52) STAT3ALDH1A1TDP2LMNAMAPT
SCHEMBL17345525 0.87 STAT3 (0.46) STAT3ALDH1A1TDP2LMNAMAPT
SCHEMBL21504540 0.87 STAT3 (0.46) STAT3ALDH1A1TDP2LMNAMAPT
SCHEMBL18730799 0.86 STAT3 (0.51) STAT3ALDH1A1LMNAMAPTSMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267797-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2022-03-08 — — US disclosed
US-20200317630-A1 ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2020-10-08 — — US disclosed
US-10689355-B2 Anticancer agent Kyoto Pharmaceuticals Industries, Ltd. (JP) 2020-06-23 — — US disclosed
US-20190322636-A1 NOVEL ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2019-10-24 — — US disclosed
US-10377730-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2019-08-13 — — US disclosed
US-10005752-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-06-26 — — US disclosed
US-10005752-B2 Anticancer agent KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2018-06-26 — — US disclosed
US-20170121299-A1 NOVEL ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2017-05-04 — — US disclosed
US-20170121299-A1 NOVEL ANTICANCER AGENT KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2017-05-04 — — US disclosed
EP-3153508-A1 NOVEL ANTICANCER AGENT Kyoto Pharmaceutical Industries, Ltd. (JP) 2017-04-12 — — EP disclosed
WO-2015190489-A1 NOVEL ANTICANCER AGENT 京都薬品工業株式会社 2015-12-17 — — 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 (7 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-20170121299-A1 NOVEL ANTICANCER AGENT NTPCR, TP53, NME1 STAT3 1231/4885ALDH1A1 187/4885TDP2 1574/4885
US-20200317630-A1 ANTICANCER AGENT TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885TDP2 1671/4885
US-10005752-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885TDP2 1671/4885
US-11267797-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885TDP2 1671/4885
US-20190322636-A1 NOVEL ANTICANCER AGENT NTPCR, TP53, NME1 STAT3 1231/4885ALDH1A1 187/4885TDP2 1574/4885
US-10689355-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885TDP2 1671/4885
US-10377730-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885TDP2 1671/4885

“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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