SCHEMBL10136280

SCHEMBL10136280

CCCCCCCCCCCOCCCC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.67
MEN1 O00255 1/20 0.54
THRB P10828 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 3/20 0.47
NAAA Q02083 1/20 0.47
DGKA P23743 1/20 0.47
PLA2G2C Q5R387 2/20 0.46
CES1 P23141 3/20 0.44
EPHX1 P07099 1/20 0.44
GPR84 Q9NQS5 2/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43

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
SCHEMBL28347220 1.00 CES2 (0.67) CES2MEN1THRBHTTKMT2A
SCHEMBL2847742 1.00 CES2 (0.67) CES2MEN1THRBHTTKMT2A
SCHEMBL16090840 1.00 CES2 (0.67) CES2MEN1THRBHTTKMT2A
SCHEMBL20932438 0.98 CES2 (0.63) CES2MEN1THRBHTTKMT2A
SCHEMBL31607440 0.96 CES2 (0.67) CES2MEN1THRBHTTKMT2A
SCHEMBL17946903 0.96 CES2 (0.67) CES2MEN1THRBHTTKMT2A
SCHEMBL18780724 0.94 CES2 (0.64) CES2MEN1THRBHTTKMT2A
Water SCHEMBL5181823 0.94 CES2 (0.64) CES2MEN1THRBHTTKMT2A
SCHEMBL5545163 0.93 CES2 (0.69) CES2MEN1THRBHTTKMT2A
SCHEMBL28601607 0.93 CES2 (0.63) CES2MEN1THRBHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159861-A1 APJ Receptor Compounds ANCHOR THERAPEUTICS, INC. (US) 2016-06-09 US disclosed
US-9155795-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-10-13 US disclosed
US-9096646-B2 CXCR4 receptor compounds ANCHOR THERAPEUTICS, INC. (US) 2015-08-04 US disclosed
US-20130210709-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-08-15 US disclosed
US-20130005944-A1 CXCR4 Receptor Compounds ACER THERAPEUTICS INC. 2013-01-03 US disclosed
US-20120028888-A1 APJ RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2012-02-02 US disclosed
US-20110301087-A1 CRF1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 US disclosed
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 US disclosed
US-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS ANTHOR THERAPEUTICS, INC. 2011-12-01 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 (7 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-20110294738-A1 PTHR1 RECEPTOR COMPOUNDS PTH1R, MC1R, CASR CES2 4881/4885MEN1 398/4885THRB 9/4885
US-20120028888-A1 APJ RECEPTOR COMPOUNDS APLNR, AP1G1, AP2B1 CES2 4827/4885MEN1 4292/4885THRB 1305/4885
US-20130005944-A1 CXCR4 Receptor Compounds CXCL12, CXCR4, CCR5 CES2 4292/4885MEN1 2487/4885THRB 1006/4885
US-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 CES2 4500/4885MEN1 3324/4885THRB 1576/4885
US-20130210709-A1 CXCR4 Receptor Compounds CXCR4, CXCL12, SDF4 CES2 2815/4885MEN1 3835/4885THRB 686/4885
US-20110301087-A1 CRF1 RECEPTOR COMPOUNDS CRHR1, CRH, CRHR2 CES2 4422/4885MEN1 4518/4885THRB 428/4885
US-20160159861-A1 APJ Receptor Compounds APLNR, AP1G1, AP2B1 CES2 4764/4885MEN1 4240/4885THRB 1422/4885

“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.