SCHEMBL16624679

SCHEMBL16624679

COCCOC[C@H](CC1(C(=O)NC2CCCCC2)CCCC1)C(=O)Oc1ccc2c(c1)CCC2

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.85
KDM4E B2RXH2 1/20 0.39
PPARG P37231 3/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EPHX2 P34913 1/20 0.35
HPGD P15428 1/20 0.34
OPRM1 P35372 1/20 0.34
MAPT P10636 1/20 0.33

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
Candoxatril SCHEMBL1649937 0.92 MME (1.00) MMEKDM4EPPARGPPARDPPARA
SCHEMBL9470376 0.92 MME (0.88) MMEKDM4EPPARGPPARDPPARA
Candoxatril SCHEMBL29494166 0.92 MME (1.00) MMEKDM4EPPARGPPARDPPARA
Candoxatril SCHEMBL392920 0.92 MME (1.00) MMEKDM4EPPARGPPARDPPARA
Candoxatril SCHEMBL121666 0.92 MME (1.00) MMEKDM4EPPARGPPARDPPARA
Candoxatril SCHEMBL5601069 0.92 MME (1.00) MMEKDM4EPPARGPPARDPPARA
SCHEMBL7322664 0.91 MME (0.83) MMEKDM4EPPARGPPARDPPARA
SCHEMBL7329974 0.91 MME (0.83) MMEKDM4EPPARGPPARDPPARA
Candoxatril SCHEMBL14660450 0.90 MME (0.95) MMEKDM4EPPARGPPARDPPARA
SCHEMBL9469895 0.85 MME (0.80) MMEKDM4EPPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES CELLWORKS GROUP, INC. 2015-04-09 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-20150098993-A1 COMPOSITIONS, PROCESS OF PREPARATION OF SAID COMPOSITIONS AND METHOD OF TREATING INFLAMMATORY DISEASES TNF, C5, IL5 MME 3204/4885KDM4E 724/4885PPARG 1381/4885

“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.