SCHEMBL16596169

SCHEMBL16596169

CCCCCCCCCNC(=O)CC(=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.69
HPGD P15428 3/20 0.59
EPHX1 P07099 3/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
EGFR P00533 1/20 0.52
CASP2 P42575 1/20 0.51
CYP2C9 P11712 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL3571218 0.86 KMT2A (0.57) NAAAHPGDALDH1A1CYP2C9KDM4E
SCHEMBL7542456 0.86 NAAA (0.63) NAAAHPGDCASP2MAPTTDP1
SCHEMBL4086405 0.84 HDAC1 (0.58) NAAAHPGDCYP2C9MAPTSMN1; SMN2
SCHEMBL1002638 0.81 NAAA (1.00) NAAAEPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL1003239 0.81 NAAA (1.00) NAAAEPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL8204741 0.81 NAAA (1.00) NAAAEPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL1004555 0.81 NAAA (1.00) NAAAEPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL1002305 0.81 NAAA (1.00) NAAAEPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL421014 0.81 NAAA (1.00) NAAAEPHX1ALDH1A1HTTSMN1; SMN2
SCHEMBL20216434 0.81 NAAA (1.00) NAAAEPHX1ALDH1A1HTTSMN1; SMN2

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-20240366561-A1 SYSTEM AND ASSAY FOR MONITORING PRODUCTION/RELEASE OF MEMBRANE-LYTIC TOXINS IN BACTERIA AND COMPOUNDS FOR MODULATING SAME WISCONSIN ALUMNI RESEARCH FOUNDATION 2024-11-07 US disclosed
US-12070445-B2 System and assay for monitoring production/release of membrane-lytic toxins in bacteria and compounds for modulating same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2024-08-27 US disclosed
CN-117965525-A Method for screening bacterial quorum sensing signal inhibitor 清华大学深圳国际研究生院 2024-05-03 CN disclosed
US-20230070337-A1 SYSTEM AND ASSAY FOR MONITORING PRODUCTION/RELEASE OF MEMBRANE-LYTIC TOXINS IN BACTERIA AND COMPOUNDS FOR MODULATING SAME WISCONSIN ALUMNI RESEARCH FOUNDATION 2023-03-09 US disclosed
US-10751495-B2 Patient interface KONINKLIJKE PHILIPS N.V. (NL) 2020-08-25 US disclosed
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-9751851-B2 Molecules and compositions that inhibit gram negative bacteria and their uses THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-05 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-22 US disclosed
US-20160317771-A1 PATIENT INTERFACE KONINKLIJKE PHILIPS N.V. 2016-11-03 US disclosed
WO-2015042363-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-03-26 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 (4 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-20230070337-A1 SYSTEM AND ASSAY FOR MONITORING PRODUCTION/RELEASE OF MEMBRANE-LYTIC TOXINS IN BACTERIA AND COMPOUNDS FOR MODULATING SAME LIPE, LYPLA2, LYPLA1 NAAA 283/4885HPGD 2942/4885EPHX1 1223/4885
US-20240366561-A1 SYSTEM AND ASSAY FOR MONITORING PRODUCTION/RELEASE OF MEMBRANE-LYTIC TOXINS IN BACTERIA AND COMPOUNDS FOR MODULATING SAME LIPE, LYPLA2, LYPLA1 NAAA 283/4885HPGD 2942/4885EPHX1 1223/4885
US-20160368892-A1 MOLECULES AND COMPOSITIONS THAT INHIBIT GRAM NEGATIVE BACTERIA AND THEIR USES BLVRB, PGLS, GRHPR NAAA 1374/4885HPGD 481/4885EPHX1 2628/4885
US-12070445-B2 System and assay for monitoring production/release of membrane-lytic toxins in bacteria and compounds for modulating same LIPE, LYPLA2, LYPLA1 NAAA 283/4885HPGD 2942/4885EPHX1 1223/4885

“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.