SCHEMBL6739872

SCHEMBL6739872

CCC(C)OC(=O)CCS

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
EPHX2 P34913 1/20 0.39
ACE P12821 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
FAAH O00519 4/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 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
SCHEMBL4904230 0.88 LMNA (0.46) LMNAEPHX2CA12CA1CA2
SCHEMBL645070 0.86 CA12 (0.45) LMNAEPHX2CA12CA1CA2
SCHEMBL6741287 0.86 LMNA (0.48) LMNAEPHX2CA12CA1CA2
SCHEMBL2989645 0.82 ALDH1A1 (0.50) LMNAEPHX2CA12CA1CA2
SCHEMBL10554751 0.82 LMNA (0.57) LMNAEPHX2CA12CA1CA2
SCHEMBL1585214 0.82 ALDH1A1 (0.50) LMNAEPHX2CA12CA1CA2
SCHEMBL2980900 0.82 ALDH1A1 (0.50) LMNAEPHX2CA12CA1CA2
SCHEMBL6231000 0.82 LMNA (0.52) LMNAEPHX2CA12CA1CA2
SCHEMBL6741077 0.82
SCHEMBL13341730 0.81 EPHX2 (0.38) LMNAEPHX2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012127-B2 Thermoreversible network scaffolds and methods of preparing same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2015-04-21 US disclosed
US-20130244179-A1 Novel Thermoreversible Network Scaffolds and Methods of Preparing Same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2013-09-19 US disclosed
WO-2012074994-A1 NOVEL THERMOREVERSIBLE NETWORK SCAFFOLDS AND METHODS OF PREPARING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2012-06-07 WO disclosed
US-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 US disclosed
US-20040023807-A1 3-Arylisothiazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-02-05 US disclosed
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-11-20 US disclosed
EP-1335903-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2003-08-20 EP disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 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 (3 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-20040023807-A1 3-Arylisothiazoles and their use as herbicides DDT, HAX1, SULT1E1 LMNA 4564/4885EPHX2 2749/4885ACE 777/4885
US-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 LMNA 4573/4885EPHX2 1056/4885ACE 516/4885
US-20030216257-A1 1-aryl-4-alkyl halide-2(1h)-pyridones and their use as herbicides CYP1B1, DDT, CYP1A1 LMNA 3218/4885EPHX2 1207/4885ACE 408/4885

“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.