SCHEMBL6390673

SCHEMBL6390673

CC(CO)(CCCCNC(=O)NCCCCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.52
KMT2A Q03164 6/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MMP8 P22894 1/20 0.49
MEN1 O00255 1/20 0.48
EPHX1 P07099 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6390561 0.99 EPHX2 (0.51) EPHX2KMT2AHPGDPOLBALDH1A1
SCHEMBL6387806 0.97 EPHX2 (0.56) EPHX2KMT2AHPGDPOLBALDH1A1
SCHEMBL6388900 0.96 EPHX2 (0.55) EPHX2KMT2AHPGDPOLBALDH1A1
SCHEMBL6395479 0.95 NPC1 (0.55) EPHX2KMT2AHPGDPOLBALDH1A1
SCHEMBL6390064 0.94 NPC1 (0.53) EPHX2KMT2AHPGDPOLBALDH1A1
SCHEMBL6392645 0.91 CYP2C19 (0.47) EPHX2POLBALDH1A1EPHX1NPC1
SCHEMBL6387814 0.91 CYP2C19 (0.47) EPHX2POLBALDH1A1EPHX1NPC1
SCHEMBL6389460 0.87 CYP2C19 (0.44) EPHX2KMT2AHPGDPOLBALDH1A1
SCHEMBL6394194 0.86 CYP2C19 (0.43) EPHX2KMT2AHPGDPOLBALDH1A1
SCHEMBL6395096 0.86 CYP2C19 (0.43) EPHX2POLBALDH1A1EPHX1NPC1

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 3605/4885KMT2A 4598/4885HPGD 4282/4885

“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.