SCHEMBL6856419

SCHEMBL6856419

CCCCCCCCOC(=O)c1cc(C(=O)OCCCCCCCC)cc(S(=O)(=O)O)c1.[BaH2]

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.60
AKR1C4 P17516 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.52
STS P08842 6/20 0.52

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
SCHEMBL6856887 1.00 ESR1 (0.60) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6850404 1.00 ESR1 (0.60) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6850603 0.98 ESR1 (0.57) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6395550 0.98 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6390316 0.98 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7784538 0.98 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8596397 0.97 ESR1 (0.60) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6291885 0.97 ESR1 (0.60) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6292098 0.97 ESR1 (0.60) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6296762 0.97 ESR1 (0.60) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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 ESR1 3688/4885AKR1C4 3735/4885AKR1C3 4240/4885

“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.