SCHEMBL4401219

SCHEMBL4401219

Cc1cc(C(C)(C)c2cc(C)c(OCCOC(=O)C3CC4C=CC3C4)c(C)c2)cc(C)c1OCCOC(=O)C1CC2C=CC1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4398747 0.82 ALDH1A1 (0.47) ALDH1A1HPGDPOLBKMT2AHSD17B10
SCHEMBL13897067 0.78 ALDH1A1 (0.53) ALDH1A1HPGDPOLBKMT2AHSD17B10
SCHEMBL10388301 0.78 ALDH1A1 (0.53) ALDH1A1HPGDPOLBKMT2AHSD17B10
SCHEMBL14213298 0.78 ALDH1A1 (0.53) ALDH1A1HPGDPOLBKMT2AHSD17B10
SCHEMBL27009939 0.76 ALDH1A1 (0.45) ALDH1A1HPGDPOLBKMT2AHSD17B10
SCHEMBL12228739 0.74 ALDH1A1 (0.44) ALDH1A1HPGDPOLBKMT2AHSD17B10
SCHEMBL18901456 0.74 ALDH1A1 (0.41) ALDH1A1HPGDPOLBKMT2AHSD17B10
SCHEMBL5403101 0.74 ALDH1A1 (0.49) ALDH1A1HPGDPOLBKMT2AHSD17B10
SCHEMBL17107938 0.74 ALDH1A1 (0.50) ALDH1A1HPGDPOLBKMT2AHSD17B10
SCHEMBL4402661 0.74 ALDH1A1 (0.50) ALDH1A1HPGDPOLBKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

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 454/4885HPGD 463/4885POLB 65/4885
US-20090088494-A1 SOLID MATERIALS OBTAINABLE BY RING-OPENING METATHESIS POLYMERIZATION MMAB, DNMT3B, RHEB ALDH1A1 4132/4885HPGD 3718/4885POLB 93/4885

“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.