SCHEMBL21543887

SCHEMBL21543887

CCCOc1cccc(C(=O)OC)c1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HSP90AA1 P07900 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL21543849 0.92 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL8085961 0.91 LMNA (0.55) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL9713311 0.90 CA9 (0.50) ALDH1A1MEN1KMT2AMAPTHIF1A
SCHEMBL20934599 0.90 LMNA (0.57) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL21543727 0.87 HCRTR1 (0.51) ALDH1A1KMT2AMAPTHTTCA12
SCHEMBL31099158 0.86 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL536427 0.85 MAPT (0.59) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL29206249 0.84 MAPT (0.46) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL29773927 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTHSP90AA1
SCHEMBL20919657 0.81 SMN1; SMN2 (0.54) ALDH1A1KMT2AHTTCA12CA1

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 ALDH1A1 2676/4885MEN1 2747/4885KMT2A 4018/4885
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT TAS2R20, BLVRB, NOTUM ALDH1A1 2769/4885MEN1 2980/4885KMT2A 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.

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