SCHEMBL14321663

SCHEMBL14321663

CC(C)COC1=C(CCc2cccc(CCO)c2)C(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.37
CYP4A11 Q02928 4/20 0.37
TBXA2R P21731 3/20 0.36
ELANE P08246 1/20 0.33
XIAP P98170 3/20 0.33
SLC5A1 P13866 1/20 0.31
FAAH O00519 1/20 0.31
SIRT1 Q96EB6 1/20 0.30

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
SCHEMBL14321706 0.92 ELANE (0.38) CYP4F2CYP4A11TBXA2RELANESLC5A1
SCHEMBL14321836 0.77 TBXA2R (0.65) TBXA2R
SCHEMBL16147917 0.75 ELANE (0.47) ELANEFAAH
SCHEMBL14321347 0.73 TBXA2R (0.65) CYP4F2CYP4A11TBXA2RSLC5A1
SCHEMBL14321853 0.72 TBXA2R (0.51) CYP4F2CYP4A11TBXA2R
SCHEMBL14321480 0.71 TBXA2R (0.66) CYP4F2CYP4A11TBXA2R
SCHEMBL14321554 0.71 TBXA2R (0.64) CYP4F2CYP4A11TBXA2R
SCHEMBL8048495 0.71 CYP4F2 (0.61) CYP4F2CYP4A11FAAH
SCHEMBL14324810 0.69 TBXA2R (0.64) TBXA2R
SCHEMBL14321527 0.68 TBXA2R (0.41) CYP4F2CYP4A11TBXA2RSLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530520-B2 Cycloalkyl-dione derivatives and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-10 US disclosed
US-8530520-B2 Cycloalkyl-dione derivatives and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-10 US disclosed
US-8530520-B2 Cycloalkyl-dione derivatives and methods of their use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-10 US disclosed
US-20120329877-A1 Cycloalkyl-dione Derivatives And Methods Of Their Use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-12-27 US disclosed
US-20120329877-A1 Cycloalkyl-dione Derivatives And Methods Of Their Use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-12-27 US disclosed
US-20120329877-A1 Cycloalkyl-dione Derivatives And Methods Of Their Use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-12-27 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 (1 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-20120329877-A1 Cycloalkyl-dione Derivatives And Methods Of Their Use CYP11B2, CYP1B1, SQLE CYP4F2 250/4885CYP4A11 105/4885TBXA2R 80/4885

“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.