SCHEMBL3735946

SCHEMBL3735946

CCCCCCCCCC(=O)CC(=O)N(C)c1ccccc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 5/20 0.46
ALOX12 P18054 1/20 0.46
TSHR P16473 4/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDC25B P30305 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3735228 0.91 KMT2A (0.49) KMT2AALDH1A1ALOX12TSHRLMNA
SCHEMBL3739641 0.87 POLB (0.42) KMT2AALDH1A1TSHRPTPN1KDM4E
SCHEMBL3748980 0.87 POLB (0.42) KMT2AALDH1A1TSHRPTPN1KDM4E
SCHEMBL13041484 0.84 KMT2A (0.52) KMT2AALDH1A1TSHRLMNAKDM4E
SCHEMBL3744823 0.82 ALDH1A1 (0.51) KMT2AALDH1A1TSHRLMNATP53
SCHEMBL3731228 0.82 ALDH1A1 (0.51) KMT2AALDH1A1TSHRLMNATP53
SCHEMBL13041521 0.80 KMT2A (0.56) KMT2AALDH1A1TSHRLMNAKDM4E
SCHEMBL11178978 0.79 ALDH1A1 (0.53) KMT2AALDH1A1ALOX12TSHRLMNA
SCHEMBL3744798 0.79 HDAC6 (0.44) ALDH1A1CDC25B
SCHEMBL3741148 0.79 HDAC6 (0.44) ALDH1A1CDC25B

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-20070196340-A1 Modulation of Pathogenicity QUONOVA, LLC 2007-08-23 US disclosed
US-20070197492-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 KMT2A 4236/4885ALDH1A1 4721/4885ALOX12 895/4885
US-20070203128-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS KMT2A 4236/4885ALDH1A1 4721/4885ALOX12 895/4885
US-20070093534-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 KMT2A 2108/4885ALDH1A1 3931/4885ALOX12 1011/4885
US-20040235914-A1 Modulation of pathogenicity Q6ZSR9, CCL11, CFH KMT2A 2689/4885ALDH1A1 4526/4885ALOX12 1219/4885
US-20070208012-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS KMT2A 4236/4885ALDH1A1 4721/4885ALOX12 895/4885
US-20100280034-A1 Modulation of pathogenicity NR1H4, NR1I3, NR1H2 KMT2A 2108/4885ALDH1A1 3931/4885ALOX12 1011/4885
US-20070184014-A1 Modulation of Pathogenicity ANTXR2, Q6ZSR9, PGLS KMT2A 4236/4885ALDH1A1 4721/4885ALOX12 895/4885
US-20070196340-A1 Modulation of Pathogenicity NR1H4, NR1I3, NR1H2 KMT2A 2108/4885ALDH1A1 3931/4885ALOX12 1011/4885

“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.