Sugi Predict

Sugi Predict / Compounds / SCHEMBL2680702

SCHEMBL2680702

SCHEMBL2680702

CC(=O)Oc1cccc2cc3cc(C)cc(OC(C)=O)c3c(OC(C)=O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ GAA P10253 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ HIF1A Q16665 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
Triacetoxyanthrene SCHEMBL9119527 0.89 ALDH1A1 (0.65) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL26196519 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL8837593 0.77 GAA (0.57) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL26196522 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL8219437 0.74 KDM4E (0.56) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL9035473 0.72 HTT (0.57) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL10053943 0.72 TOP1 (0.53) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL8974728 0.72 PTPN1 (0.51) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL6001768 0.71 ALDH1A1 (0.51) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL26036680 0.71 MAOB (0.50) ALDH1A1KDM4EGAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 — — US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 — — US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 — — US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 — — 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT ALDH1A1 3464/4885KDM4E 1117/4885GAA 2514/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT ALDH1A1 3464/4885KDM4E 1117/4885GAA 2514/4885

“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.