SCHEMBL18807122

SCHEMBL18807122

CCC(C)(C)C(=O)OCOC(=O)CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 7/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ APAF1 O14727 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ PTPRC P08575 2/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ ATM Q13315 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ PARG Q86W56 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CYP1A2 P05177 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
SCHEMBL17345458 0.93 STAT3 (0.51) STAT3ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL18730793 0.91 STAT3 (0.47) STAT3ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL18691818 0.90 STAT3 (0.53) STAT3ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL17345574 0.90 STAT3 (0.48) STAT3ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL18730828 0.89 STAT3 (0.52) STAT3ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL17345459 0.89 STAT3 (0.50) STAT3ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL17345558 0.86 STAT3 (0.49) STAT3ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL18730810 0.86 STAT3 (0.45) STAT3ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL17345566 0.86 STAT3 (0.45) STAT3ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL17345553 0.84 STAT3 (0.60) STAT3ALDH1A1SMN1; SMN2MAPTLMNA

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 187/4885SMN1; SMN2 2491/4885
US-10005752-B2 Anticancer agent TP53, NTPCR, NQO1 STAT3 1303/4885ALDH1A1 160/4885SMN1; SMN2 1856/4885

“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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