SCHEMBL18714031

SCHEMBL18714031

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.67
ALDH1A1 P00352 6/20 0.58
CYP19A1 P11511 4/20 0.58
OXER1 Q8TDS5 4/20 0.58
PPARG P37231 3/20 0.58
MAPT P10636 3/20 0.58
RXRA P19793 2/20 0.58
FFAR1 O14842 2/20 0.58
PTGS1 P23219 4/20 0.54
F7 P08709 3/20 0.54
F3 P13726 3/20 0.54
KMT2A Q03164 2/20 0.54
PPARD Q03181 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
BLM P54132 3/20 0.50
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 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
SCHEMBL30635446 1.00 PPARA (0.67) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL5349079 1.00 PPARA (0.67) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL5349084 1.00 PPARA (0.67) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL29349854 0.91 PPARA (0.75) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL23698082 0.87 ALDH1A1 (0.70) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL18766262 0.87 PPARA (0.65) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL23698080 0.87 ALDH1A1 (0.70) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL18766259 0.87 PPARA (0.65) PPARAALDH1A1CYP19A1OXER1PPARG
Benzene SCHEMBL27341106 0.86 PPARA (0.52) PPARAALDH1A1CYP19A1OXER1PPARG
SCHEMBL2744092 0.86 PPARA (0.81) PPARAALDH1A1CYP19A1OXER1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170096449-A1 Compositions and Methods Relating to Ionic Salts of Peptides CONNECTICUT INNOVATIONS, INC., AS COLLATERAL AGENT 2017-04-06 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 (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-20170096449-A1 Compositions and Methods Relating to Ionic Salts of Peptides VIP, IAPP, NPPA PPARA 4670/4885ALDH1A1 4662/4885CYP19A1 3108/4885

“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.