SCHEMBL860860

SCHEMBL860860

CC(C)OC(=O)CCC(=O)OCCCCNC(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 6/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2C P28335 1/20 0.36
TLR2 O60603 5/20 0.35

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
SCHEMBL860819 0.84 EPHX2 (0.43) EPHX2LMNACYP2D6CYP2C9CYP2C19
SCHEMBL2608285 0.81 ALDH1A1 (0.39) EPHX2LMNAACHEALDH1A1HTR2C
SCHEMBL2608272 0.81 ZDHHC20 (0.46) EPHX2LMNAACHEALDH1A1
SCHEMBL18410296 0.79 MEN1 (0.47) EPHX2LMNAKMT2AACHEALDH1A1
SCHEMBL861685 0.79 KMT2A (0.45) CYP2D6CYP2C9CYP2C19KMT2AACHE
SCHEMBL12315814 0.78 HCAR2 (0.42) CYP2D6CYP2C9CYP2C19KMT2AACHE
SCHEMBL22102174 0.76 LMNA (0.70) LMNAALDH1A1HTR2C
SCHEMBL12304727 0.75 LMNA (0.37) EPHX2LMNAHTR2C
SCHEMBL29761942 0.75 LMNA (0.63) LMNAALDH1A1HTR2C
SCHEMBL860855 0.75 KMT2A (0.54) EPHX2LMNACYP2D6CYP2C9CYP2C19

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-8865130-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2014-10-21 US disclosed
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2013-02-28 US disclosed
US-8143302-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2012-03-27 US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 US disclosed
US-7736624-B2 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy UNIV VANDERBILT (US) 2010-06-15 US disclosed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 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 (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-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 EPHX2 162/4885LMNA 2338/4885CYP2D6 3121/4885
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 EPHX2 289/4885LMNA 3249/4885CYP2D6 1020/4885
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 EPHX2 162/4885LMNA 2338/4885CYP2D6 3121/4885

“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.