SCHEMBL6855985

SCHEMBL6855985

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.59
PRKCD Q05655 2/20 0.59
NR1I2 O75469 1/20 0.42
PNLIP P16233 3/20 0.36
ESR1 P03372 2/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CTRC Q99895 1/20 0.35
MAPK10 P53779 1/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
ADAM17 P78536 2/20 0.34
MMP1 P03956 2/20 0.34
GLS2 Q9UI32 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 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
SCHEMBL6291913 0.97 PRKCA (0.59) PRKCAPRKCDNR1I2PNLIPESR1
SCHEMBL6858608 0.91 PRKCA (0.62) PRKCAPRKCDNR1I2ESR1
SCHEMBL6293178 0.88 PRKCA (0.62) PRKCAPRKCDNR1I2ESR1
SCHEMBL6856593 0.88 PRKCA (0.49) PRKCAPRKCD
SCHEMBL6291914 0.86 PRKCA (0.60) PRKCAPRKCDPNLIPESR1AKR1C4
SCHEMBL6855990 0.86 PRKCA (0.60) PRKCAPRKCDPNLIPESR1AKR1C4
SCHEMBL6850436 0.86 ALDH1A1 (0.46) PRKCAPRKCDNR1I2
SCHEMBL6292960 0.85 PRKCA (0.49) PRKCAPRKCD
SCHEMBL6856384 0.85 ALDH1A1 (0.48) PRKCAPRKCDNR1I2MMP9MMP13
SCHEMBL6295996 0.83 ALDH1A1 (0.46) PRKCAPRKCDNR1I2

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 PRKCA 4466/4885PRKCD 4692/4885NR1I2 4157/4885

“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.