SCHEMBL264463

SCHEMBL264463

CCCC/[N+]([O-])=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
G6PD P11413 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
ALDH1A1 P00352 5/20 0.35
FBP1 P09467 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
EGFR P00533 1/20 0.34
HDAC3 O15379 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL39273 1.00 G6PD (0.38) G6PDPOLBGAATDP1LMNA
SCHEMBL14575602 0.86 G6PD (0.41) G6PDPOLBGAATDP1ALDH1A1
SCHEMBL14575603 0.86 G6PD (0.41) G6PDPOLBGAATDP1ALDH1A1
SCHEMBL3454524 0.80 MEN1 (0.39) GAAALDH1A1KMT2AMAPT
SCHEMBL1404270 0.79 G6PD (0.42) G6PDPOLBGAATDP1ALDH1A1
SCHEMBL4712634 0.79 G6PD (0.41) G6PDPOLBGAATDP1ALDH1A1
SCHEMBL10696828 0.79 FBP1 (0.44) LMNAALDH1A1FBP1TSHREGFR
SCHEMBL9065978 0.76 AKR1C3 (0.47) TDP1LMNAALDH1A1FBP1KMT2A
SCHEMBL14617615 0.74 G6PD (0.45) G6PDPOLBGAATDP1ALDH1A1
SCHEMBL27374051 0.74 G6PD (0.39) G6PDPOLBGAATDP1ALDH1A1

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-1655070-B1 OXIDATION CATALYST ASAHI KASEI CHEMICALS CORP (JP) 2015-07-15 EP disclosed
US-8133834-B2 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-13 US disclosed
US-20100069670-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
US-20060229471-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-10-12 US disclosed
EP-1655070-A1 OXIDATION CATALYST Asahi Kasei Chemicals Corporation (JP) 2006-05-10 EP 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-20100069670-A1 Oxidation catalyst PPOX, SOD1, HAO2 G6PD 198/4885POLB 549/4885GAA 2093/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 G6PD 198/4885POLB 549/4885GAA 2093/4885

“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.