SCHEMBL4400488

SCHEMBL4400488

O=C(OCCOCC1CC2C=CC1C2)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PPM1B O75688 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14435505 0.88 PPM1B (0.47) TDP1KDM4EALDH1A1KMT2APKM
SCHEMBL4403504 0.88 PPM1B (0.47) TDP1KDM4EALDH1A1KMT2APKM
SCHEMBL4403485 0.81 KDM4E (0.35) TDP1LMNAKDM4EALDH1A1KMT2A
SCHEMBL417008 0.81 POLB (0.43) TDP1KDM4EALDH1A1KMT2APKM
SCHEMBL14449086 0.81 KDM4E (0.35) TDP1LMNAKDM4EALDH1A1KMT2A
SCHEMBL200865 0.81 KDM4E (0.47) TDP1LMNAKDM4EALDH1A1KMT2A
SCHEMBL203802 0.79 KDM4E (0.45) TDP1LMNAKDM4EALDH1A1PKM
SCHEMBL122602 0.78 ALDH1A1 (0.41) TDP1LMNAKDM4EALDH1A1KMT2A
SCHEMBL203002 0.78 FFAR4 (0.44) TDP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL10023890 0.78 MAPT (0.46) TDP1KDM4EALDH1A1KMT2APKM

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 13 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
EP-1815838-A1 Solid materials obtainable by the ring-opening methathesis polymerization 3M Innovative Properties Company (US) 2007-08-08 EP 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 TDP1 1542/4885LMNA 3949/4885KDM4E 3465/4885
US-20090088494-A1 SOLID MATERIALS OBTAINABLE BY RING-OPENING METATHESIS POLYMERIZATION MMAB, DNMT3B, RHEB TDP1 3862/4885LMNA 2576/4885KDM4E 1902/4885

“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.