SCHEMBL1466479

SCHEMBL1466479

CC(=O)OCc1ccc2c(c1)COC2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
ALDH1A1 P00352 2/20 0.47
CA2 P00918 1/20 0.41
PRKDC P78527 1/20 0.39
NAAA Q02083 2/20 0.38
RXRB P28702 1/20 0.38
IDH1 O75874 1/20 0.36
HPGD P15428 1/20 0.36
NLRP3 Q96P20 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
S1PR4 O95977 1/20 0.34
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL7401227 0.82 RXRB (0.55) CYP3A4ALDH1A1NAAARXRBHPGD
SCHEMBL13542852 0.75 CYP3A4 (0.61) CYP3A4ALDH1A1NPC1RAB9A
SCHEMBL22604494 0.75 ALDH1A1 (0.49) ALDH1A1NLRP3
SCHEMBL22604495 0.75 ALDH1A1 (0.49) ALDH1A1NLRP3
SCHEMBL29790983 0.75 NAAA (0.40) NAAA
SCHEMBL12745077 0.74 KMT2A (0.47) ALDH1A1HPGDRAB9A
SCHEMBL132773 0.74 ALDH1A1 (0.78) CYP3A4ALDH1A1CA2IDH1
SCHEMBL4186791 0.73 CYP3A4 (0.59) CYP3A4ALDH1A1CA2IDH1NPC1
SCHEMBL5173443 0.73 GAA (0.48) ALDH1A1CA2RXRBHPGD
SCHEMBL306160 0.72 CYP3A4 (1.00) CYP3A4ALDH1A1NAAAHPGDNPC1

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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
EP-2254863-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-01 EP disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds DDT, PRDX4, CYP4X1 CYP3A4 222/4885ALDH1A1 1268/4885CA2 2237/4885

“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.