SCHEMBL6747845

SCHEMBL6747845

[CH2]c1ccc(Cl)c(C(=O)c2ccccc2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
VCAM1 P19320 1/20 0.41
SRD5A2 P31213 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
DPP4 P27487 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1C3 P42330 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX15 P16050 1/20 0.37

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
SCHEMBL10752018 0.80 ALDH1A1 (0.46) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL11210134 0.79 MEN1 (0.50) ALDH1A1VCAM1SRD5A2ATMTDP1
SCHEMBL30015375 0.78 ALDH1A1 (0.46) ALDH1A1VCAM1SRD5A2ATMTDP1
SCHEMBL7581152 0.78 ALDH1A1 (0.46) ALDH1A1VCAM1SRD5A2ATMTDP1
SCHEMBL8608656 0.78 ALDH1A1 (0.46) ALDH1A1VCAM1SRD5A2ATMTDP1
SCHEMBL7684364 0.76 CLCN2 (0.47) ALDH1A1VCAM1SRD5A2ATMTDP1
SCHEMBL1042856 0.76 ALDH1A1 (0.59) ALDH1A1SRD5A2ATMTDP1L3MBTL1
SCHEMBL16316326 0.75 CLCN2 (0.48) ALDH1A1VCAM1L3MBTL1LMNAGAA
SCHEMBL14907132 0.75 ALDH1A1 (0.43) ALDH1A1VCAM1SRD5A2ATMTDP1
SCHEMBL8432335 0.75 ALDH1A1 (0.43) ALDH1A1VCAM1SRD5A2ATMTDP1

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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1016670-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-09-03 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
EP-1173193-A4 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME UNIV PRINCETON (US) 2003-01-29 EP disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US disclosed
EP-1173193-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME The Trustees of Princeton University (US) 2002-01-23 EP disclosed
WO-2000059528-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-10-12 WO disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 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 (2 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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 ALDH1A1 1409/4885VCAM1 1515/4885SRD5A2 2428/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS ALDH1A1 4049/4885VCAM1 343/4885SRD5A2 4044/4885

“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.