SCHEMBL21543811

SCHEMBL21543811

CCCCOc1ccc(C(=O)OC)c(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
PLA2G2A P14555 2/20 0.51
ALPL P05186 1/20 0.50
MAPT P10636 1/20 0.50
PTPN11 Q06124 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL8085882 0.97 MAOA (0.60) MAOAMAOBPLA2G2APTPN11TSHR
SCHEMBL16836640 0.95 MAOA (0.62) MAOAMAOBPTPN11TSHRTHRA
SCHEMBL18199320 0.93 PLA2G2A (0.50) MAOAMAOBL3MBTL1KDM4EALDH1A1
SCHEMBL20129246 0.93 RARB (0.54) MAOAMAOBL3MBTL1KDM4EALDH1A1
SCHEMBL28279461 0.92 PTPN11 (0.56) MAOAMAOBL3MBTL1KDM4EALDH1A1
SCHEMBL8588735 0.92 MAOB (0.53) MAOAMAOBL3MBTL1KDM4EMAPT
SCHEMBL16482859 0.89 MAOA (0.54) MAOAMAOBL3MBTL1KDM4EALDH1A1
SCHEMBL28870271 0.88 PTPN11 (0.62) MAOAMAOBPLA2G2APTPN11TSHR
SCHEMBL28280526 0.88 PTPN11 (0.62) MAOAMAOBPLA2G2APTPN11TSHR
SCHEMBL27098563 0.88 MAPT (0.49) MAOAMAOBL3MBTL1KDM4EALDH1A1

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-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

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 MAOA 3108/4885MAOB 2995/4885L3MBTL1 4833/4885
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT TAS2R20, BLVRB, NOTUM MAOA 2994/4885MAOB 2972/4885L3MBTL1 4842/4885

“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.