SCHEMBL4398753

SCHEMBL4398753

O=C(OCCOc1ccccc1)C1CC2C=CC1C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
KMT2A Q03164 4/20 0.57
RAB9A P51151 3/20 0.51
HSD17B10 Q99714 3/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
ESR2 Q92731 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.44
TSHR P16473 2/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL14449133 1.00 ALDH1A1 (0.57) ALDH1A1KMT2ARAB9AHSD17B10POLB
SCHEMBL21895667 0.85 ALDH1A1 (0.68) ALDH1A1KMT2ARAB9AHSD17B10POLB
SCHEMBL10388301 0.84 ALDH1A1 (0.53) ALDH1A1KMT2ARAB9AHSD17B10POLB
SCHEMBL13897067 0.84 ALDH1A1 (0.53) ALDH1A1KMT2ARAB9AHSD17B10POLB
SCHEMBL14213298 0.84 ALDH1A1 (0.53) ALDH1A1KMT2ARAB9AHSD17B10POLB
SCHEMBL4398747 0.84 ALDH1A1 (0.47) ALDH1A1KMT2ARAB9AHSD17B10POLB
SCHEMBL3197540 0.83 KDM4E (0.45) ALDH1A1KMT2ARAB9APOLBHPGD
SCHEMBL10524520 0.82 ALDH1A1 (0.48) ALDH1A1KMT2ARAB9AHSD17B10POLB
SCHEMBL10023872 0.82 ALDH1A1 (0.46) ALDH1A1KMT2ARAB9AHSD17B10POLB
SCHEMBL19729141 0.81 HTT (0.52) ALDH1A1KMT2APOLBHPGDAPEX1

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 ALDH1A1 454/4885KMT2A 1341/4885RAB9A 1469/4885
US-20090088494-A1 SOLID MATERIALS OBTAINABLE BY RING-OPENING METATHESIS POLYMERIZATION MMAB, DNMT3B, RHEB ALDH1A1 4132/4885KMT2A 1609/4885RAB9A 926/4885

“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.