SCHEMBL19735970

SCHEMBL19735970

CC(C)(C)c1ccc2c(c1)C(=C(Br)Br)OC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ CASP3 P42574 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SENP8 Q96LD8 2/20 0.49
▸ SENP7 Q9BQF6 2/20 0.49
▸ SENP6 Q9GZR1 2/20 0.49
▸ PLA2G1B P04054 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ATG4B Q9Y4P1 1/20 0.49
▸ CA9 Q16790 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36

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
SCHEMBL1545970 0.81 ALDH1A1 (0.60) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL19736118 0.78 ELANE (0.44) ALDH1A1NFKB1NFKB2RELACA9
SCHEMBL19267597 0.75 NPC1 (0.53) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL19736021 0.74 CA2 (0.46) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL19736128 0.73 TDP1 (0.56) ALDH1A1NFKB1NFKB2RELAL3MBTL1
SCHEMBL19735987 0.71 MAPT (0.47) ALDH1A1NPC1RAB9AL3MBTL1CA9
SCHEMBL10001991 0.70 ALDH1A1 (0.43) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL18476163 0.70 ALDH1A1 (0.43) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL436366 0.70 ALOX15 (0.46) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL30071525 0.70 ALOX15 (0.46) ALDH1A1NPC1CASP3RAB9ASENP8

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 3 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
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 ALDH1A1 2676/4885NPC1 4031/4885CASP3 3158/4885
US-20190345126-A1 NOVEL BROMINATED FURANONE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT TAS2R20, BLVRB, NOTUM ALDH1A1 2769/4885NPC1 4066/4885CASP3 2728/4885

“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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