SCHEMBL21543733

SCHEMBL21543733

CCCCCOc1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PTPN11 Q06124 3/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 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
SCHEMBL7271528 0.98 PTPN11 (0.53) PTPN1MAPTKMT2AMEN1NPC1
SCHEMBL27710083 0.98 PTPN11 (0.53) PTPN1MAPTKMT2AMEN1NPC1
SCHEMBL11834242 0.98 PTPN11 (0.53) PTPN1MAPTKMT2AMEN1NPC1
SCHEMBL10068086 0.97 MAPT (0.56) PTPN1MAPTKMT2AMEN1NPC1
SCHEMBL24948319 0.92 MAOA (0.50) PTPN1MAPTKMT2AMEN1NPC1
SCHEMBL21543709 0.90 CA12 (0.50) PTPN1MAPTKMT2AMEN1NPC1
SCHEMBL20251164 0.90 MAOA (0.49) PTPN1MAPTKMT2AMEN1NPC1
SCHEMBL24946581 0.90 MAOA (0.49) PTPN1MAPTKMT2AMEN1NPC1
SCHEMBL20251189 0.90 MAOA (0.49) PTPN1MAPTKMT2AMEN1NPC1
SCHEMBL17250895 0.88 MAOA (0.50) MAPTKMT2AMEN1NPC1ALDH1A1

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 PTPN1 144/4885MAPT 4343/4885KMT2A 4018/4885
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT TAS2R20, BLVRB, NOTUM PTPN1 188/4885MAPT 4482/4885KMT2A 4257/4885

“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.