SCHEMBL6856384

SCHEMBL6856384

CCCCCCC(C)OC(=O)c1cc(C(=O)OC(C)CCCCCC)cc(S(=O)(=O)[O-])c1.CCCCCCC(C)OC(=O)c1cc(C(=O)OC(C)CCCCCC)cc(S(=O)(=O)[O-])c1.[Ba+2]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
NR1I2 O75469 1/20 0.42
FAAH O00519 5/20 0.41
PRKCA P17252 2/20 0.40
PRKCD Q05655 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAPT P10636 1/20 0.40
NAAA Q02083 1/20 0.39
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP9 P14780 2/20 0.36
MMP13 P45452 2/20 0.36
ADAM17 P78536 2/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL6850436 0.99 ALDH1A1 (0.46) ALDH1A1NR1I2FAAHPRKCAPRKCD
SCHEMBL6296114 0.97 ALDH1A1 (0.48) ALDH1A1NR1I2FAAHPRKCAPRKCD
SCHEMBL6295996 0.96 ALDH1A1 (0.46) ALDH1A1NR1I2FAAHPRKCAPRKCD
SCHEMBL6855748 0.95 PRKCA (0.45) ALDH1A1NR1I2FAAHPRKCAPRKCD
SCHEMBL6293031 0.92 PRKCA (0.45) ALDH1A1NR1I2FAAHPRKCAPRKCD
SCHEMBL6856281 0.89 PRKCA (0.43) ALDH1A1NR1I2PRKCAPRKCDKMT2A
SCHEMBL6291923 0.87 PRKCA (0.43) ALDH1A1NR1I2PRKCAPRKCDKMT2A
SCHEMBL6296115 0.86 ALDH1A1 (0.49) ALDH1A1FAAHPRKCAPRKCDCNR1
SCHEMBL6856387 0.86 ALDH1A1 (0.49) ALDH1A1FAAHPRKCAPRKCDCNR1
SCHEMBL6855985 0.85 PRKCA (0.59) NR1I2PRKCAPRKCDMMP9MMP13

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-6830859-B2 Electrostatic latent images; containing barium salt of sulfoisophthalic acid RICOH COMPANY, LTD. (JP) 2004-12-14 US disclosed
US-20030077534-A1 Charge control agent and toner using same RICOH COMPANY, LTD. (JP) 2003-04-24 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-20030077534-A1 Charge control agent and toner using same BET1, SMARCA5, SMARCA1 ALDH1A1 4656/4885NR1I2 4157/4885FAAH 2220/4885

“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.