SCHEMBL9593302

SCHEMBL9593302

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
TDP1 Q9NUW8 4/20 0.39
TRPA1 O75762 1/20 0.38
OXER1 Q8TDS5 4/20 0.37
CYP19A1 P11511 4/20 0.37
PPARG P37231 3/20 0.37
MAPT P10636 3/20 0.37
RXRA P19793 2/20 0.37
FFAR1 O14842 2/20 0.37
PPARA Q07869 3/20 0.37
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
PTGS1 P23219 2/20 0.34
KMT2A Q03164 2/20 0.34
PPARD Q03181 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL182648 1.00 ALDH1A1 (0.39) ALDH1A1TDP1TRPA1OXER1CYP19A1
SCHEMBL16181330 1.00 ALDH1A1 (0.39) ALDH1A1TDP1TRPA1OXER1CYP19A1
Benzene SCHEMBL27667540 0.91 ALDH1A1 (0.43) ALDH1A1TDP1OXER1CYP19A1PPARG
SCHEMBL9156697 0.89
SCHEMBL756870 0.89
SCHEMBL756871 0.89
SCHEMBL12948684 0.89
SCHEMBL16178261 0.87 TAS1R3 (0.44) ALDH1A1OXER1CYP19A1PPARGMAPT
SCHEMBL16178260 0.87 TAS1R3 (0.44) ALDH1A1OXER1CYP19A1PPARGMAPT
SCHEMBL28541103 0.85

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
JP-5255516-A None JP disclosed
US-20100316631-A1 Water Soluble Curcumin-Based Compounds THE UAB RESEARCH FOUNDATION (US) 2010-12-16 US disclosed
JP-H05255516-A PREPARATION OF CROSSLINKED POLYMER BP CHEM INTERNATL LTD 1993-10-05 JP 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-20100316631-A1 Water Soluble Curcumin-Based Compounds BAD, TP53, CD14 ALDH1A1 1330/4885TDP1 4097/4885TRPA1 2068/4885

“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.