SCHEMBL4354732

SCHEMBL4354732

CCCCCCCCCSCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 1.00
GMNN O75496 1/20 1.00
TP53 P04637 1/20 1.00
POLB P06746 1/20 1.00
MAPT P10636 1/20 1.00
THRB P10828 1/20 1.00
CYP2C9 P11712 1/20 1.00
BLM P54132 1/20 1.00
CES2 O00748 3/20 0.69
CES1 P23141 5/20 0.60
FAAH O00519 4/20 0.60
PLA2G6 O60733 1/20 0.60
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
PTPN1 P18031 3/20 0.50
ALDH1A1 P00352 2/20 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
SCHEMBL1405322 1.00 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT
SCHEMBL1405362 1.00 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT
SCHEMBL3638014 1.00 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT
SCHEMBL4814083 1.00 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT
Tetradecylthioacetic Acid SCHEMBL207756 1.00 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT
SCHEMBL1405316 1.00 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT
SCHEMBL1405566 1.00 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT
SCHEMBL939761 1.00 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT
SCHEMBL4649866 1.00 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT
Tetradecylthioacetic Acid SCHEMBL7524926 1.00 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT

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
WO-2009147400-A1 STEM CELL CULTURE MEDIA AND METHODS ITI SCOTLAND LIMITED (GB) 2009-12-10 WO disclosed
US-20070060643-A1 Autoinducer compounds MONTANA STATE UNIVERSITY (US) 2007-03-15 US disclosed
US-7078435-B2 Autoinducer compounds MONTANA STATE UNIVERSITY (US) 2006-07-18 US disclosed
EP-1487269-A4 AUTOINDUCER COMPOUNDS UNIV MONTANA STATE (US) 2005-12-21 EP disclosed
EP-1487269-A1 AUTOINDUCER COMPOUNDS Montana State University-Bozeman (US) 2004-12-22 EP disclosed
US-20040254235-A1 Autoinducer compounds NATIONAL SCIENCE FOUNDATION 2004-12-16 US disclosed
US-6756404-B2 PREVENTION INFECTIONS THE RESEARCH & DEVELOPMENT INSTITUTE, INC. 2004-06-29 US disclosed
WO-2003077653-A1 AUTOINDUCER COMPOUNDS MONTANA STATE UNIVERSITY-BOZEMAN (US) 2003-09-25 WO disclosed
US-20030013755-A1 Autoinducer compounds MONTANA STATE UNIVERSITY 2003-01-16 US disclosed
US-6337347-B1 ENHANCE GENE EXPRESSION IN A WIDE VARIETY OF MICROORGANISMS, THERAPEUTIC COMPOSITIONS AND THERAPEUTIC METHODS WHEREIN GENE EXPRESSION WITHIN MICROORGANISMS IS REGULATED ARE DISCLOSED. THE RESEARCH & DEVELOPMENT INSTITUTE, INC. 2002-01-08 US disclosed
EP-0979407-A1 METHODS FOR IDENTIFYING LIGANDS FOR NUCLEAR HORMONE RECEPTORS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2000-02-16 EP disclosed
WO-1998049555-A1 METHODS FOR IDENTIFYING LIGANDS FOR NUCLEAR HORMONE RECEPTORS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1998-11-05 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 (3 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-20040254235-A1 Autoinducer compounds MYC, BLVRB, MRPL21 HSD17B10 160/4885GMNN 2390/4885TP53 2180/4885
US-20030013755-A1 Autoinducer compounds MYC, BLVRB, MRPL21 HSD17B10 160/4885GMNN 2390/4885TP53 2180/4885
US-20070060643-A1 Autoinducer compounds MYC, BLVRB, MRPL21 HSD17B10 160/4885GMNN 2390/4885TP53 2180/4885

“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.