SCHEMBL4606228

SCHEMBL4606228

CCCCOC(=O)c1cc(C(=O)OCCCC)cc(S(=O)(=O)[O-])c1.CCCCOC(=O)c1cc(C(=O)OCCCC)cc(S(=O)(=O)[O-])c1.[Ba+2]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.56
STS P08842 6/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PDE4D Q08499 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48

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
SCHEMBL4607327 0.97 ESR1 (0.56) ESR1STSLMNACYP1A2TSHR
SCHEMBL4605563 0.97 ESR1 (0.56) ESR1STSLMNACYP1A2TSHR
SCHEMBL4605018 0.95 ESR1 (0.56) ESR1STSAKR1C4AKR1C3AKR1C2
SCHEMBL6856417 0.94 ESR1 (0.58) ESR1STSAKR1C4AKR1C3AKR1C2
SCHEMBL6850407 0.94 ESR1 (0.58) ESR1STSAKR1C4AKR1C3AKR1C2
SCHEMBL6856893 0.94 ESR1 (0.58) ESR1STSAKR1C4AKR1C3AKR1C2
SCHEMBL4603155 0.93 ESR1 (0.56) ESR1STSAKR1C4AKR1C3AKR1C2
SCHEMBL4605710 0.93 ESR1 (0.56) ESR1STSAKR1C4AKR1C3AKR1C2
SCHEMBL6296763 0.91 ESR1 (0.58) ESR1STSAKR1C4AKR1C3AKR1C2
SCHEMBL8596393 0.91 ESR1 (0.58) ESR1STSAKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139710-B2 Aliphatic polyester resin compositions, molded articles of aliphatic polyester resin and method of producing same TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2015-09-22 US disclosed
EP-1707598-B1 ALIPHATIC POLYESTER RESIN COMPOSITION, ALIPHATIC POLYESTER RESIN MOLDING AND PROCESS FOR PRODUCING THE ALIPHATIC POLYESTER RESIN MOLDING TAKEMOTO OIL & FAT CO LTD (JP) 2008-07-09 EP disclosed
US-20070270535-A1 Aliphatic Polyester Resin Compositions, Molded Articles of Aliphatic Polyester Resin and Method of Producing Same TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) 2007-11-22 US disclosed
EP-1707598-A1 ALIPHATIC POLYESTER RESIN COMPOSITION, ALIPHATIC POLYESTER RESIN MOLDING AND PROCESS FOR PRODUCING THE ALIPHATIC POLYESTER RESIN MOLDING Takemoto Yushi Kabushiki Kaisha (JP) 2006-10-04 EP disclosed
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 3688/4885STS 733/4885LMNA 1222/4885

“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.