SCHEMBL105841

SCHEMBL105841

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
PPARG P37231 8/20 0.63
FFAR1 O14842 5/20 0.63
CYP19A1 P11511 5/20 0.63
OXER1 Q8TDS5 5/20 0.63
MAPT P10636 4/20 0.63
RXRA P19793 2/20 0.63
PPARA Q07869 7/20 0.56
F7 P08709 7/20 0.53
F3 P13726 7/20 0.53
PPARD Q03181 6/20 0.53
PTGS1 P23219 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.53
CYP3A4 P08684 3/20 0.53
HPGD P15428 3/20 0.53
ALOX15 P16050 3/20 0.53
HSD17B10 Q99714 3/20 0.53
TDP1 Q9NUW8 3/20 0.53

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
SCHEMBL19193490 0.90 ALDH1A1 (0.76) ALDH1A1PPARGFFAR1CYP19A1OXER1
SCHEMBL3683367 0.90 ALDH1A1 (0.76) ALDH1A1PPARGFFAR1CYP19A1OXER1
SCHEMBL31461009 0.90 ALDH1A1 (0.76) ALDH1A1PPARGFFAR1CYP19A1OXER1
SCHEMBL20397376 0.90 ALDH1A1 (0.76) ALDH1A1PPARGFFAR1CYP19A1OXER1
SCHEMBL24234956 0.89 ALDH1A1 (0.81) ALDH1A1PPARGFFAR1CYP19A1OXER1
SCHEMBL6517329 0.89 ALDH1A1 (0.81) ALDH1A1PPARGFFAR1CYP19A1OXER1
SCHEMBL6517333 0.89 ALDH1A1 (0.81) ALDH1A1PPARGFFAR1CYP19A1OXER1
SCHEMBL21557476 0.89 ALDH1A1 (0.81) ALDH1A1PPARGFFAR1CYP19A1OXER1
SCHEMBL2573208 0.88 FASN (0.59) ALDH1A1PPARGFFAR1CYP19A1OXER1
SCHEMBL2573210 0.88 FASN (0.59) ALDH1A1PPARGFFAR1CYP19A1OXER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853437-B2 Anti-inflammatory compounds THE UNIVERSITY OF TOKYO (JP) 2014-10-07 US disclosed
US-8853437-B2 Anti-inflammatory compounds THE UNIVERSITY OF TOKYO (JP) 2014-10-07 US disclosed
US-20120059061-A1 NOVEL ANTI-INFLAMMATORY COMPOUNDS THE UNIVERSITY OF TOKYO (JP) 2012-03-08 US disclosed
US-20120059061-A1 NOVEL ANTI-INFLAMMATORY COMPOUNDS THE UNIVERSITY OF TOKYO (JP) 2012-03-08 US disclosed
WO-2010095706-A1 NOVEL ANTI-INFLAMMATORY COMPOUNDS 国立大学法人東京大学 (JP) 2010-08-26 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-20120059061-A1 NOVEL ANTI-INFLAMMATORY COMPOUNDS ALOX15, ALOX15B, ALOX12 ALDH1A1 1074/4885PPARG 189/4885FFAR1 109/4885

“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.