SCHEMBL21543711

SCHEMBL21543711

CCCCOc1cccc2c1C(=O)OC2=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ ELANE P08246 2/20 0.46
▸ KCNA3 P22001 1/20 0.43
▸ TSHR P16473 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ STK17B O94768 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ PRKCA P17252 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL21543826 0.95 KCNA3 (0.46) CYP1A2CYP2C9CYP2C19CYP19A1ELANE
SCHEMBL21543827 0.92 CYP2A6 (0.48) CYP1A2CYP2C9CYP2C19CYP19A1ELANE
SCHEMBL21543800 0.85 TTR (0.46) TDP1CYP2A6ALDH1A1L3MBTL1MAPK1
SCHEMBL19735979 0.84 ELANE (0.44) CYP1A2CYP2C9CYP2C19CYP19A1ELANE
SCHEMBL11436177 0.83 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19CYP19A1ELANE
SCHEMBL11365580 0.83 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19CYP19A1ELANE
SCHEMBL16076555 0.81 KCNA3 (0.62) CYP1A2CYP2C9CYP2C19CYP19A1ELANE
SCHEMBL29129708 0.81 KCNA3 (0.44) CYP1A2CYP2C9CYP2C19CYP19A1KCNA3
SCHEMBL30930077 0.81 ALOX15 (0.43) CYP1A2CYP2C19KCNA3TDP1ALDH1A1
SCHEMBL9017760 0.80 ELANE (0.67) CYP1A2CYP2C9CYP2C19CYP19A1ELANE

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 CYP1A2 2233/4885CYP2C9 800/4885CYP2C19 609/4885
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT TAS2R20, BLVRB, NOTUM CYP1A2 2381/4885CYP2C9 854/4885CYP2C19 671/4885

“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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