SCHEMBL17345486

SCHEMBL17345486

O=C(/C=C(\O)c1cc2c(o1)C(=O)c1ccccc1C2=O)OCC(CO)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 7/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
APAF1 O14727 2/20 0.33
MITF O75030 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TTR P02766 1/20 0.31
TDP2 O95551 3/20 0.31
CDC25B P30305 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30

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
SCHEMBL17345447 0.90 STAT3 (0.49) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL17345562 0.87 ALDH1A1 (0.54) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL17345521 0.86 STAT3 (0.52) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL17345517 0.85 ALDH1A1 (0.57) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18807127 0.84 ALDH1A1 (0.51) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL17345438 0.84 STAT3 (0.50) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL17345483 0.84 STAT3 (0.47) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL17345484 0.83 STAT3 (0.44) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18730825 0.83 STAT3 (0.46) STAT3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL17345510 0.82 STAT3 (0.48) STAT3ALDH1A1MAPTLMNASMN1; 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 187/4885MAPT 4391/4885
US-20200317630-A1 ANTICANCER AGENT TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885MAPT 4014/4885
US-10005752-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885MAPT 4014/4885
US-11267797-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885MAPT 4014/4885
US-20190322636-A1 NOVEL ANTICANCER AGENT NTPCR, TP53, NME1 STAT3 1231/4885ALDH1A1 187/4885MAPT 4391/4885
US-10689355-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885MAPT 4014/4885
US-10377730-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885MAPT 4014/4885

“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.