SCHEMBL6850436

SCHEMBL6850436

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
PRKCA P17252 2/20 0.41
PRKCD Q05655 2/20 0.41
NR1I2 O75469 1/20 0.40
FAAH O00519 5/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 1/20 0.38
NAAA Q02083 1/20 0.38
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6856384 0.99 ALDH1A1 (0.48) ALDH1A1PRKCAPRKCDNR1I2FAAH
SCHEMBL6295996 0.97 ALDH1A1 (0.46) ALDH1A1PRKCAPRKCDNR1I2FAAH
SCHEMBL6296114 0.96 ALDH1A1 (0.48) ALDH1A1PRKCAPRKCDNR1I2FAAH
SCHEMBL6855748 0.96 PRKCA (0.45) ALDH1A1PRKCAPRKCDNR1I2FAAH
SCHEMBL6293031 0.93 PRKCA (0.45) ALDH1A1PRKCAPRKCDNR1I2FAAH
SCHEMBL6856281 0.91 PRKCA (0.43) ALDH1A1PRKCAPRKCDNR1I2TSHR
SCHEMBL6291923 0.88 PRKCA (0.43) ALDH1A1PRKCAPRKCDNR1I2TSHR
SCHEMBL6855985 0.86 PRKCA (0.59) PRKCAPRKCDNR1I2
SCHEMBL6850439 0.85 ALDH1A1 (0.47) ALDH1A1PRKCAPRKCDFAAHCNR1
SCHEMBL6295997 0.85 ALDH1A1 (0.47) ALDH1A1PRKCAPRKCDFAAHCNR1

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 4656/4885PRKCA 4466/4885PRKCD 4692/4885

“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.