SCHEMBL19735976

SCHEMBL19735976

CCCOc1cccc2c1C(=O)OC2=C(Br)Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.43
▸ PDE5A O76074 3/20 0.38
▸ STK17B O94768 1/20 0.38
▸ KCNA3 P22001 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ PDE6D O43924 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL19735979 0.93 ELANE (0.44) STK17BKCNA3ELANEHTR2BCYP1A2
SCHEMBL19736020 0.92 PRKCA (0.42) KCNA3ELANEHTR2BCYP1A2CYP19A1
SCHEMBL19736106 0.88 TTR (0.44) CYP2A6STK17BALDH1A1KMT2AGLA
SCHEMBL21543827 0.83 CYP2A6 (0.48) CYP2A6PDE5ASTK17BKCNA3ELANE
SCHEMBL21543711 0.76 CYP1A2 (0.49) CYP2A6STK17BKCNA3ELANECYP1A2
SCHEMBL28050007 0.75 KCNA3 (0.59) CYP2A6PDE5AKCNA3ELANEHTR2A
SCHEMBL21543826 0.75 KCNA3 (0.46) KCNA3ELANEHTR2BCYP1A2CYP19A1
SCHEMBL19735989 0.73 KMT2A (0.45) CYP1A2CYP2C19ALDH1A1KMT2AGLA
SCHEMBL19735974 0.73 CA1 (0.46) CYP1A2CYP2C19ALDH1A1KMT2AGLA
SCHEMBL11436177 0.70 CYP1A2 (0.39) CYP2A6PDE5AKCNA3ELANECYP1A2

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 7 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 claimed
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 claimed
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-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
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
WO-2017217741-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT 서울대학교 산학협력단 2017-12-21 — — WO 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 CYP2A6 1971/4885PDE5A 12/4885STK17B 2306/4885
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT TAS2R20, BLVRB, NOTUM CYP2A6 1960/4885PDE5A 8/4885STK17B 2476/4885

“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.

Send feedback