SCHEMBL21543826

SCHEMBL21543826

CCCCCOc1cccc2c1C(=O)OC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ PRKCA P17252 6/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ELANE P08246 1/20 0.42
▸ MCHR1 Q99705 2/20 0.41

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
SCHEMBL21543711 0.95 CYP1A2 (0.49) KCNA3CYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL21543827 0.90 CYP2A6 (0.48) KCNA3CYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL19736020 0.84 PRKCA (0.42) KCNA3CYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL21543800 0.83 TTR (0.46) MEN1LMNAMAPTKMT2A
SCHEMBL29129708 0.83 KCNA3 (0.44) KCNA3CYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL11436177 0.82 CYP1A2 (0.39) KCNA3CYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL11365580 0.82 CYP1A2 (0.39) KCNA3CYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL918577 0.81 KCNA3 (0.63) KCNA3PRKCAMEN1NR1I2LMNA
SCHEMBL11099971 0.80 KDM4E (0.48) KCNA3CYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL30930077 0.80 ALOX15 (0.43) KCNA3CYP1A2CYP2C19MEN1CYP3A4

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 KCNA3 2281/4885CYP1A2 2233/4885CYP2C9 800/4885
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT TAS2R20, BLVRB, NOTUM KCNA3 2181/4885CYP1A2 2381/4885CYP2C9 854/4885

“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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