SCHEMBL6387804

SCHEMBL6387804

CC(C)(CO)CCCCNC(=O)NCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.60
POLB P06746 1/20 0.58
KDM4E B2RXH2 1/20 0.55
EPHX1 P07099 1/20 0.55
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
KMT2A Q03164 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL6392000 0.97 EPHX2 (0.56) EPHX2POLBKDM4EEPHX1ALDH1A1
SCHEMBL6394738 0.96 EPHX2 (0.61) EPHX2POLBKDM4EEPHX1CYP2C9
SCHEMBL6391297 0.94 NPC1 (0.58) EPHX2POLBKDM4EEPHX1CYP2C9
SCHEMBL6391334 0.94 EPHX2 (0.56) EPHX2POLBKDM4EEPHX1ALDH1A1
SCHEMBL6394268 0.90 NPC1 (0.60) EPHX2POLBKDM4EEPHX1CYP2C9
SCHEMBL6387806 0.85 EPHX2 (0.56) EPHX2POLBKDM4EEPHX1CYP2C9
SCHEMBL6388900 0.84 EPHX2 (0.55) EPHX2POLBKDM4EEPHX1CYP2C9
SCHEMBL6390673 0.83 EPHX2 (0.52) EPHX2POLBKDM4EEPHX1ALDH1A1
SCHEMBL6389460 0.82 CYP2C19 (0.44) EPHX2POLBEPHX1CYP2C19ALDH1A1
SCHEMBL2284133 0.82 L3MBTL1 (0.46) POLBALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-09-01 US claimed
US-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-09-01 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-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses PNLIP, FABP2, GPR119 EPHX2 3605/4885POLB 2521/4885KDM4E 4596/4885

“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.