SCHEMBL4403485

SCHEMBL4403485

O=C(OCCOCC1CC2C=CC1C2)OCCOCC1CC2C=CC1C2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.35
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
EPHX2 P34913 2/20 0.33
PKM P14618 3/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL14449086 1.00 KDM4E (0.35) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL122602 0.88 ALDH1A1 (0.41) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL19689426 0.86 KDM4E (0.42) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL24183422 0.86 KDM4E (0.42) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL4401217 0.84 KDM4E (0.39) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL14434848 0.84 KDM4E (0.39) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL5359702 0.81 KDM4E (0.39) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL13863424 0.81 KDM4E (0.36) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL13863432 0.81 KDM4E (0.36) KDM4EALDH1A1TDP1LMNAPOLB
SCHEMBL4400488 0.81 TDP1 (0.45) KDM4EALDH1A1TDP1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094760-B1 COMPOSITIONS CURABLE BY RING OPENING METATHESIS POLYMERIZATION AT LOW TEMPERATURES AND THEIR APPLICATION IN THE DENTAL FIELD 3M INNOVATIVE PROPERTIES CO (US) 2017-05-31 EP disclosed
US-8431625-B2 Compositions curable by ring opening metathesis polymerization at low temperatures and their application in the dental field 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-30 US disclosed
US-8178604-B2 Solid materials obtainable by ring-opening metathesis polymerization 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-15 US disclosed
US-8178604-B2 Solid materials obtainable by ring-opening metathesis polymerization 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-05-15 US disclosed
EP-1815838-B1 Solid materials obtainable by the ring-opening methathesis polymerization 3M INNOVATIVE PROPERTIES CO (US) 2010-09-08 EP disclosed
US-20100036015-A1 COMPOSITIONS CURABLE BY RING OPENING METATHESIS POLYMERIZATION AT LOW TEMPERATURES AND THEIR APPLICATION IN THE DENTAL FIELD 3M INNOVATIVE PROPERTIES COMPANY 2010-02-11 US disclosed
US-20100036015-A1 COMPOSITIONS CURABLE BY RING OPENING METATHESIS POLYMERIZATION AT LOW TEMPERATURES AND THEIR APPLICATION IN THE DENTAL FIELD 3M INNOVATIVE PROPERTIES COMPANY 2010-02-11 US disclosed
US-20090088494-A1 SOLID MATERIALS OBTAINABLE BY RING-OPENING METATHESIS POLYMERIZATION 3M INNOVATIVE PROPERTIES COMPANY 2009-04-02 US disclosed
US-20090088494-A1 SOLID MATERIALS OBTAINABLE BY RING-OPENING METATHESIS POLYMERIZATION 3M INNOVATIVE PROPERTIES COMPANY 2009-04-02 US disclosed
EP-1942125-A1 Compositions curable by ring opening metathesis polymerarization at low temperatures and their application in the dental field 3M Innovative Properties Company (US) 2008-07-09 EP disclosed
WO-2008077001-A1 COMPOSITIONS CURABLE BY RING OPENING METATHESIS POLYMERIZATION AT LOW TEMPERATURES AND THEIR APPLICATION IN THE DENTAL FIELD 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-06-26 WO disclosed
WO-2007089801-A1 SOLID MATERIALS OBTAINABLE BY RING-OPENING METATHESIS POLYMERIZATION 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-08-09 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 (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-20100036015-A1 COMPOSITIONS CURABLE BY RING OPENING METATHESIS POLYMERIZATION AT LOW TEMPERATURES AND THEIR APPLICATION IN THE DENTAL FIELD DNMT3B, HMBS, MMAB KDM4E 3465/4885ALDH1A1 454/4885TDP1 1542/4885
US-20090088494-A1 SOLID MATERIALS OBTAINABLE BY RING-OPENING METATHESIS POLYMERIZATION MMAB, DNMT3B, RHEB KDM4E 1902/4885ALDH1A1 4132/4885TDP1 3862/4885

“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.