SCHEMBL5081582

SCHEMBL5081582

CCC=CCCCC(O)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
CYP19A1 P11511 4/20 0.39
F7 P08709 3/20 0.39
F3 P13726 3/20 0.39
PPARG P37231 3/20 0.39
OXER1 Q8TDS5 3/20 0.39
PTGS1 P23219 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
RXRA P19793 2/20 0.39
FFAR1 O14842 3/20 0.38
FFAR4 Q5NUL3 2/20 0.38
MAPT P10636 3/20 0.37
NR1I2 O75469 2/20 0.37
PTGS2 P35354 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL5081580 1.00 ALDH1A1 (0.39) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL15237148 1.00 ALDH1A1 (0.39) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL31436976 0.91 ALDH1A1 (0.42) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL3924242 0.86 ALDH1A1 (0.35) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL3924248 0.86 ALDH1A1 (0.35) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL15237134 0.84 FFAR1 (0.51) CYP19A1F7F3PPARGPTGS1
SCHEMBL832707 0.84 FFAR1 (0.44) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL7116185 0.84 DGKA (0.39) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL1101262 0.84 FFAR1 (0.44) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL7116188 0.84 DGKA (0.39) ALDH1A1CYP19A1F7F3PPARG

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
EP-1651688-A4 HEAVY-HYDROGENATED (METH)ACRYLATES, PROCESS FOR PRODUCING THEM, POLYMERS THEREOF AND OPTICAL MEMBERS FUJIFILM CORP (JP) 2008-11-19 EP disclosed
US-20060281884-A1 Heavy-hydrogenated (meth) acrylates, proces for producing them, polymers thereof and optical members FUJIFILM CORPORATION (JP) 2006-12-14 US disclosed
US-20060116535-A1 Method of deuteration WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-06-01 US disclosed
EP-1651688-A1 HEAVY-HYDROGENATED (METH)ACRYLATES, PROCESS FOR PRODUCING THEM, POLYMERS THEREOF AND OPTICAL MEMBERS FUJI PHOTO FILM CO., LTD. (JP) 2006-05-03 EP disclosed
WO-2005010060-A1 HEAVY-HYDROGENATED (METH)ACRYLATES, PROCESS FOR PRODUCING THEM, POLYMERS THEREOF AND OPTICAL MEMBERS FUJI PHOTO FILM CO., LTD. (JP) 2005-02-03 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 (2 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-20060281884-A1 Heavy-hydrogenated (meth) acrylates, proces for producing them, polymers thereof and optical members HCCS, P4HA1, POR ALDH1A1 38/4885CYP19A1 47/4885F7 2226/4885
US-20060116535-A1 Method of deuteration ARL1, IDH2, IDH3A ALDH1A1 827/4885CYP19A1 839/4885F7 1159/4885

“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.