SCHEMBL6853221

SCHEMBL6853221

Cc1ccc2c(c1)CCc1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.52
SRD5A2 P31213 1/20 0.52
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
PARP10 Q53GL7 1/20 0.47
PARP11 Q9NR21 1/20 0.47
ELANE P08246 1/20 0.47
CES1 P23141 1/20 0.46
MIF P14174 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.44
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL20901342 0.91 SRD5A1 (0.49) SRD5A1SRD5A2RAB9ANPC1PARP10
SCHEMBL19422232 0.89 PARP10 (0.55) SRD5A1RAB9APARP10PARP11ELANE
SCHEMBL11708659 0.88 CES1 (0.61) SRD5A1SRD5A2RAB9ANPC1PARP10
SCHEMBL27913248 0.87 PARP1 (0.47) SRD5A1SRD5A2RAB9ANPC1PARP10
SCHEMBL13802029 0.84 MIF (0.41) SRD5A1SRD5A2RAB9ANPC1PARP10
SCHEMBL31400232 0.83 ALDH1A1 (0.59) SRD5A2RAB9ANPC1ELANESMN1; SMN2
SCHEMBL1609497 0.83 ALDH1A1 (0.59) SRD5A2RAB9ANPC1ELANESMN1; SMN2
SCHEMBL12362400 0.81 SLC6A2 (0.49) SRD5A1SRD5A2RAB9ANPC1PARP10
SCHEMBL4818156 0.79 CES1 (0.56) SRD5A1SRD5A2RAB9ANPC1PARP10
Dihydrophenanthrene SCHEMBL155991 0.78 CES1 (0.68) SRD5A1SRD5A2RAB9ANPC1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130193840-A1 COMPOSITION AND LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-01 US disclosed
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
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-2001081372-A2 VANCOMYCIN ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2001-11-01 WO 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 SRD5A1 1916/4885SRD5A2 2428/4885RAB9A 1400/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS SRD5A1 3804/4885SRD5A2 4044/4885RAB9A 3245/4885

“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.