SCHEMBL9979759

SCHEMBL9979759

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
ALOX15 P16050 3/20 0.55
CYP2D6 P10635 1/20 0.55
PAM P19021 1/20 0.38
ALOX12 P18054 3/20 0.35
PPARG P37231 5/20 0.33
OXER1 Q8TDS5 4/20 0.33
CYP19A1 P11511 3/20 0.33
FFAR1 O14842 3/20 0.33
RXRA P19793 2/20 0.33
MAPT P10636 2/20 0.33
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
F7 P08709 2/20 0.31
F3 P13726 2/20 0.31
PTGS1 P23219 2/20 0.31
KMT2A Q03164 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL28963153 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15CYP2D6PAMALOX12
SCHEMBL633425 0.85
SCHEMBL5176784 0.85
SCHEMBL14161541 0.78 ALDH1A1 (0.59) ALDH1A1ALOX15ALOX12PPARGOXER1
SCHEMBL5606297 0.78
SCHEMBL471839 0.78
SCHEMBL17950790 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15CYP2D6PAMLMNA
SCHEMBL17540715 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15CYP2D6PAMLMNA
SCHEMBL17540714 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15CYP2D6PAMLMNA
SCHEMBL27912109 0.76 ALDH1A1 (0.52) ALDH1A1ALOX15CYP2D6PAMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140065067-A1 RADIOPAQUE IODINATED PRODUCTS INTENDED FOR USE MEDICAL IMAGING AND THEIR METHODS UNIVERSITE DE STRASBOURG (FR) 2014-03-06 US disclosed
US-20140065067-A1 RADIOPAQUE IODINATED PRODUCTS INTENDED FOR USE MEDICAL IMAGING AND THEIR METHODS UNIVERSITE DE STRASBOURG (FR) 2014-03-06 US disclosed
WO-2012080279-A1 RADIOPAQUE IODINATED PRODUCTS INTENDED FOR USE MEDICAL IMAGING AND THEIR METHODS OF PREPARATION UNIVERSITE DE STRASBOURG (FR) 2012-06-21 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-20140065067-A1 RADIOPAQUE IODINATED PRODUCTS INTENDED FOR USE MEDICAL IMAGING AND THEIR METHODS FABP1, GPR119, FABP2 ALDH1A1 2287/4885ALOX15 35/4885CYP2D6 2823/4885

“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.