SCHEMBL5841822

SCHEMBL5841822

O=Cc1c(O)cc2ccccc2c1C=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.63
TRPM4 Q8TD43 1/20 0.52
PADI4 Q9UM07 1/20 0.48
NQO2 P16083 1/20 0.45
GLO1 Q04760 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL125970 0.86 ERN1 (0.61) ERN1TRPM4PADI4NQO2GLO1
SCHEMBL10331758 0.86 PADI4 (0.57) ERN1TRPM4PADI4NQO2GLO1
SCHEMBL29407829 0.86 ERN1 (0.61) ERN1TRPM4PADI4NQO2GLO1
SCHEMBL5843386 0.83 ERN1 (0.58) ERN1TRPM4PADI4NQO2GLO1
SCHEMBL342278 0.81 ERN1 (0.57) ERN1PADI4KDM4ENPC1CYP1A2
SCHEMBL29388184 0.81 ERN1 (0.57) ERN1PADI4KDM4ENPC1CYP1A2
SCHEMBL3635848 0.80 CYP1A2 (0.59) ERN1TRPM4PADI4KDM4ECYP1A2
Methyl Alcohol SCHEMBL27670101 0.79 ERN1 (0.57) ERN1PADI4GLO1KDM4EHTT
SCHEMBL5843636 0.79 ERN1 (0.53) ERN1TRPM4PADI4NQO2GLO1
SCHEMBL5840936 0.79 ERN1 (0.53) ERN1TRPM4PADI4NQO2GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100489027-C Flame-retardant epoxy resin composition and phosphorus-containing compound CHANGCHUN ARTIFICIAL RESIN FAC (CN) 2009-05-20 CN disclosed
US-6984716-B2 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2006-01-10 US disclosed
CN-1580120-A Flame-retardant epoxy resin composition and phosphorus-containing compound CHANGCHUN ARTIFICIAL RESIN FAC (CN) 2005-02-16 CN disclosed
CN-1580108-A Phosphorus-containing compound ARTIFICIAL RESIN FACTORY CO LT (CN) 2005-02-16 CN disclosed
US-20040077825-A1 Phosphorus-containing compound CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 US disclosed
US-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation G.D. SEARLE & CO. 2004-02-26 US 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-20040038977-A1 Substituted bezopyran derivatives for the treatment of inflammation PTGS1, PTGES2, IL1R1 ERN1 2376/4885TRPM4 3467/4885PADI4 3291/4885

“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.