SCHEMBL3731228

SCHEMBL3731228

CCCCCCC(=O)CC(=O)N(C)c1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
P2RX7 Q99572 1/20 0.47
POLB P06746 1/20 0.42
HAO1 Q9UJM8 1/20 0.41
EPHX2 P34913 1/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
ASAH1 Q13510 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CETP P11597 1/20 0.38

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
SCHEMBL3744823 1.00 ALDH1A1 (0.51) ALDH1A1TP53P2RX7POLBHAO1
SCHEMBL23189278 0.87 ALDH1A1 (0.54) ALDH1A1TP53P2RX7POLBCES2
SCHEMBL3739641 0.84 POLB (0.42) ALDH1A1POLBHAO1EPHX2CES2
SCHEMBL3748980 0.84 POLB (0.42) ALDH1A1POLBHAO1EPHX2CES2
SCHEMBL3744798 0.83 HDAC6 (0.44) ALDH1A1EPHX2BCHEACHE
SCHEMBL3741148 0.83 HDAC6 (0.44) ALDH1A1EPHX2BCHEACHE
SCHEMBL13041465 0.82 ALDH1A1 (0.43) ALDH1A1TP53HPGDTSHRHTT
SCHEMBL3735946 0.82 KMT2A (0.46) ALDH1A1TP53POLBTSHRKMT2A
SCHEMBL3742708 0.81 EPHX2 (0.50) TP53HAO1EPHX2CES2CES1
SCHEMBL3735202 0.81 EPHX2 (0.50) TP53HAO1EPHX2CES2CES1

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 ALDH1A1 4721/4885TP53 2760/4885P2RX7 1431/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS ALDH1A1 4721/4885TP53 2760/4885P2RX7 1431/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 ALDH1A1 3931/4885TP53 4033/4885P2RX7 3121/4885
US-20040235914-A1 Modulation of pathogenicity Q6ZSR9, CCL11, CFH ALDH1A1 4526/4885TP53 3746/4885P2RX7 3325/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS ALDH1A1 4721/4885TP53 2760/4885P2RX7 1431/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 ALDH1A1 3931/4885TP53 4033/4885P2RX7 3121/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS ALDH1A1 4721/4885TP53 2760/4885P2RX7 1431/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 ALDH1A1 3931/4885TP53 4033/4885P2RX7 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.