SCHEMBL1879784

SCHEMBL1879784

CCCC(N)CCCCCCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
ENPEP Q07075 3/20 0.60
FFAR4 Q5NUL3 2/20 0.58
FFAR1 O14842 2/20 0.58
GPR84 Q9NQS5 7/20 0.56
PPARG P37231 7/20 0.56
PPARD Q03181 7/20 0.56
PPARA Q07869 7/20 0.56
HDAC11 Q96DB2 5/20 0.56
TSHR P16473 4/20 0.56
PTPN1 P18031 3/20 0.56
TLR2 O60603 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
FABP4 P15090 2/20 0.56
SLC22A6 Q4U2R8 1/20 0.56
SLC22A8 Q8TCC7 1/20 0.56
MEN1 O00255 1/20 0.56
ESR1 P03372 1/20 0.56
ALOX15 P16050 1/20 0.56
PDE4A P27815 1/20 0.56

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
SCHEMBL1886706 1.00 ALDH1A1 (1.00) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1877009 1.00 ALDH1A1 (1.00) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1878344 1.00 ALDH1A1 (1.00) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL8113493 1.00 ALDH1A1 (1.00) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1882504 1.00 ALDH1A1 (1.00) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1878242 1.00 ALDH1A1 (1.00) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1873964 0.98 ALDH1A1 (0.96) ALDH1A1ENPEPFFAR4FFAR1GPR84
Adipic Acid SCHEMBL28579558 0.96 ALDH1A1 (0.93) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1875991 0.92 ALDH1A1 (0.85) ALDH1A1ENPEPFFAR4FFAR1GPR84
SCHEMBL1884098 0.92 ALDH1A1 (0.85) ALDH1A1ENPEPFFAR4FFAR1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105417-A1 Drug Conjugates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-05-05 US disclosed
WO-2009158633-A1 DRUG CONJUGATES CURATORS OF THE UNIVERSITY OF MISSOURI ON BEHALF OF THE UNIVERSITY OF MISSOURI-KANSAS CITY (US) 2009-12-30 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 (1 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-20110105417-A1 Drug Conjugates ABCB1, SLCO2B1, ABCG2 ALDH1A1 660/4885ENPEP 607/4885FFAR4 368/4885

“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.