SCHEMBL972454

SCHEMBL972454

COc1ccc(OCCOCCO)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.60
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPK1 P28482 1/20 0.57
CASP1 P29466 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLCO1B3 Q9NPD5 1/20 0.57
SLCO1B1 Q9Y6L6 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NR1I2 O75469 1/20 0.47

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
SCHEMBL970254 1.00 APP (0.60) APPALDH1A1MEN1USP2LMNA
SCHEMBL14174231 0.90 APP (0.60) APPALDH1A1MEN1USP2LMNA
SCHEMBL18429761 0.90 APP (0.77) APPALDH1A1MEN1USP2LMNA
SCHEMBL50816 0.89 APP (0.65) APPALDH1A1MEN1MAPK1KMT2A
SCHEMBL3085759 0.89 APP (0.67) APPALDH1A1MEN1USP2LMNA
SCHEMBL24303208 0.89 APP (0.67) APPALDH1A1MEN1USP2LMNA
SCHEMBL12703442 0.88 APP (0.57) APPALDH1A1MEN1USP2LMNA
SCHEMBL466232 0.87 APP (0.65) APPALDH1A1MEN1USP2LMNA
SCHEMBL77535 0.87 ALDH1A1 (0.60) APPALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL14173685 0.84 APP (0.55) APPALDH1A1MEN1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2259137-B1 METHOD FOR PRODUCING A OF LITHOGRAPHIC PRINTING PLATE FUJIFILM CORP (JP) 2016-08-31 EP disclosed
US-20110168044-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-07-14 US disclosed
EP-2330464-A1 PROCESS FOR PRODUCING LITHOGRAPHIC PRINTING PLATE FUJIFILM Corporation (JP) 2011-06-08 EP disclosed
US-7943637-B2 Thienopyridine derivatives and the use thereof as HSP90 modulators MERCK PATENT GMBH (DE) 2011-05-17 US disclosed
US-7943637-B2 Thienopyridine derivatives and the use thereof as HSP90 modulators MERCK PATENT GMBH (DE) 2011-05-17 US disclosed
US-20110020751-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRODUCTION PROCESS OF LITHOGRAPHIC PRINTING PLATE USING THE PRECURSOR FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
EP-2259137-A1 ORIGINAL PLATE FOR LITHOGRAPHIC PRINTING PLATE, AND METHOD FOR PRODUCTION OF LITHOGRAPHIC PRINTING PLATE USING THE SAME FUJIFILM Corporation (JP) 2010-12-08 EP disclosed
US-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2009-02-26 US disclosed
US-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators MERCK PATENT GMBH (DE) 2009-02-26 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-20090054452-A1 Thienopyridine Derivatives and the Use Thereof as Hsp90 Modulators HSP90AA1, HSP90AB1, HSP90AB2P APP 2804/4885ALDH1A1 1033/4885MEN1 4561/4885

“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.