SCHEMBL3735202

SCHEMBL3735202

CCCCCCCCCC(=O)CC(=O)N(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
NPC1 O15118 1/20 0.48
JAK2 O60674 1/20 0.48
RAB9A P51151 1/20 0.48
PAX8 Q06710 1/20 0.48
HAO1 Q9UJM8 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
ASAH1 Q13510 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.44
FAAH O00519 1/20 0.44
POLQ O75417 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL3742708 1.00 EPHX2 (0.50) EPHX2NPC1JAK2RAB9APAX8
SCHEMBL10407826 0.87 NPC1 (0.53) EPHX2NPC1JAK2RAB9APAX8
SCHEMBL11515226 0.87 NPC1 (0.53) EPHX2NPC1JAK2RAB9APAX8
SCHEMBL26614645 0.87 NPC1 (0.53) EPHX2NPC1JAK2RAB9APAX8
SCHEMBL4130517 0.87 NPC1 (0.53) EPHX2NPC1JAK2RAB9APAX8
SCHEMBL26614476 0.87 NPC1 (0.53) EPHX2NPC1JAK2RAB9APAX8
SCHEMBL3735933 0.86 NPC1 (0.49) EPHX2NPC1JAK2RAB9APAX8
SCHEMBL27351408 0.85 CES2 (0.50) EPHX2NPC1JAK2RAB9APAX8
SCHEMBL13678978 0.85 GAA (0.48) EPHX2NPC1RAB9AHAO1POLQ
SCHEMBL3748980 0.82 POLB (0.42) EPHX2HAO1CES2CES1ASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280034-A1 Modulation of pathogenicity QUONOVA, LLC 2010-11-04 US disclosed
US-7338969-B2 Modulation of pathogenicity QUONOVA, LLC (US) 2008-03-04 US disclosed
US-20070208012-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-09-06 US disclosed
US-20070203128-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-30 US disclosed
US-20070197492-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070184014-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-09 US disclosed
US-20070093534-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-04-26 US disclosed
EP-1622890-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2006-02-08 EP disclosed
US-20040235914-A1 Modulation of pathogenicity 4 SC AG (DE) 2004-11-25 US disclosed
WO-2004099175-A2 BLOCKERS OF THE QUORUM SENSING SYSTEM OF GRAM-NEGATIVE BACTERIA 4SC AG (DE) 2004-11-18 WO 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 (8 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-20070197492-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS EPHX2 1294/4885NPC1 3826/4885JAK2 894/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS EPHX2 1294/4885NPC1 3826/4885JAK2 894/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 EPHX2 1310/4885NPC1 675/4885JAK2 2967/4885
US-20040235914-A1 Modulation of pathogenicity Q6ZSR9, CCL11, CFH EPHX2 1452/4885NPC1 302/4885JAK2 3251/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS EPHX2 1294/4885NPC1 3826/4885JAK2 894/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 EPHX2 1310/4885NPC1 675/4885JAK2 2967/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS EPHX2 1294/4885NPC1 3826/4885JAK2 894/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 EPHX2 1310/4885NPC1 675/4885JAK2 2967/4885

“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.