SCHEMBL6284550

SCHEMBL6284550

CC(O)Oc1ccccc1C(=O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
XBP1 P17861 1/20 0.56
MAPT P10636 4/20 0.54
HSD17B10 Q99714 4/20 0.53
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 2/20 0.44
POLB P06746 1/20 0.42
NR4A2 P43354 1/20 0.42

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
SCHEMBL27787798 0.89 IRAK4 (0.60) HPGDXBP1MAPTHSD17B10ALOX15
Bicarbonate SCHEMBL29983437 0.87 IRAK4 (0.58) HPGDXBP1MAPTHSD17B10ALOX15
SCHEMBL3824412 0.83 CYP1A2 (0.54) HPGDXBP1MAPTHSD17B10ALOX15
SCHEMBL11335431 0.83 MAPT (0.50) HPGDXBP1MAPTHSD17B10ALOX15
SCHEMBL6280137 0.81 SLC6A3 (0.56) HPGDMAPTHSD17B10ALDH1A1TSHR
SCHEMBL4326100 0.81 SLC6A3 (0.56) HPGDMAPTHSD17B10ALDH1A1TSHR
SCHEMBL7772665 0.81 MAPT (0.51) HPGDXBP1MAPTHSD17B10ALOX15
SCHEMBL1134227 0.81 KDM4E (0.58) HPGDMAPTHSD17B10ALOX15ALDH1A1
SCHEMBL10337047 0.81 KDM4E (0.58) HPGDMAPTHSD17B10ALOX15ALDH1A1
SCHEMBL11333663 0.80 LMNA (0.56) HPGDXBP1MAPTHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846900-B2 POLYVALENT CARBOXYLIC ACID ESTER, PROCESS FOR PRODUCING THE CARBOXYLIC ACID ESTER, PLASTIC LENS COMPOSITION USING THE CARBOXYLIC ESTER, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K.K. (JP) 2005-01-25 US disclosed
US-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions SHOW A DENKO K.K. (JP) 2003-07-31 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-20030144447-A1 Novel polyvalent carboxylic acid ester and their use in plastic lens compositions VCL, VIM, CRYAA HPGD 4302/4885XBP1 4241/4885MAPT 143/4885

“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.