SCHEMBL8085899

SCHEMBL8085899

CCCCCOc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.68
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
PLA2G4B P0C869 4/20 0.59
PLA2G2A P14555 1/20 0.57
RARB P10826 3/20 0.56
PLK1 P53350 1/20 0.54
PLA2G4A P47712 1/20 0.54

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
SCHEMBL16836638 0.98 PTPN11 (0.70) PTPN11TP53TSHRPLA2G4BPLA2G2A
SCHEMBL7272804 0.98 PTPN11 (0.70) PTPN11TP53TSHRPLA2G4BPLA2G2A
SCHEMBL8179881 0.98 PTPN11 (0.70) PTPN11TP53TSHRPLA2G4BPLA2G2A
SCHEMBL21543820 0.97 PTPN11 (0.62) PTPN11TP53TSHRPLA2G4BPLA2G2A
SCHEMBL8146895 0.90 KMT2A (0.58) PTPN11TP53TSHRRARBPLK1
SCHEMBL31186568 0.90 PTPN11 (0.57) PTPN11TP53TSHRPLA2G4BRARB
SCHEMBL28870271 0.88 PTPN11 (0.62) PTPN11TP53TSHRPLA2G4BPLA2G2A
SCHEMBL28280526 0.88 PTPN11 (0.62) PTPN11TP53TSHRPLA2G4BPLA2G2A
SCHEMBL5492191 0.87 PTPN11 (0.64) PTPN11TP53TSHRPLA2G4BPLA2G2A
SCHEMBL8974262 0.87 PTPN11 (0.64) PTPN11TP53TSHRPLA2G4BPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021455-B2 Brominated furanone derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2021-06-01 US disclosed
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2019-11-14 US disclosed
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP 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 (2 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-11021455-B2 Brominated furanone derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient TAS2R20, BLVRB, FDPS PTPN11 257/4885TP53 2851/4885TSHR 3925/4885
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT TAS2R20, BLVRB, NOTUM PTPN11 270/4885TP53 2824/4885TSHR 3696/4885

“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.