SCHEMBL6357635

SCHEMBL6357635

COc1cccc(/C=C/C(=O)c2ccc(O)cc2)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.78
MAOB P27338 4/20 0.77
ABCG2 Q9UNQ0 1/20 0.68
NFE2L2 Q16236 2/20 0.67
CAPN1 P07384 3/20 0.65
CTSL P07711 3/20 0.65
CTSB P07858 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
TDP1 Q9NUW8 2/20 0.64
CYP1A1 P04798 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
LMNA P02545 2/20 0.61
ALDH1A1 P00352 1/20 0.61
NTSR1 P30989 1/20 0.61
RELA Q04206 1/20 0.61
BCHE P06276 1/20 0.61
MAPT P10636 1/20 0.61

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
SCHEMBL6357636 1.00 ALOX5 (0.78) ALOX5MAOBABCG2NFE2L2CAPN1
SCHEMBL31676388 0.89 ALOX5 (0.78) ALOX5MAOBABCG2NFE2L2NPC1
SCHEMBL4026900 0.89 LMNA (0.78) ALOX5MAOBABCG2NFE2L2NPC1
SCHEMBL7102141 0.88 ALOX5 (0.76) ALOX5MAOBABCG2NFE2L2CTSL
SCHEMBL27726386 0.87 ABCG2 (0.89) ALOX5MAOBABCG2CAPN1CTSL
SCHEMBL19870465 0.87 MAOB (0.79) ALOX5MAOBABCG2CAPN1CTSL
SCHEMBL8964952 0.87 MAOB (1.00) MAOBNFE2L2CAPN1CTSLCTSB
SCHEMBL8964956 0.87 MAOB (1.00) MAOBNFE2L2CAPN1CTSLCTSB
SCHEMBL29403206 0.87 MAOB (1.00) MAOBNFE2L2CAPN1CTSLCTSB
SCHEMBL11296305 0.85 ALOX5 (0.73) ALOX5MAOBABCG2NFE2L2NPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203170-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof AVENTIS PHARMA S.A. 2005-09-15 US disclosed
CN-1612856-A 1,3-diarylprop-2-en-1-ones, compositions containing same and use thereof AVENTIS PHARMA SA (FR) 2005-05-04 CN disclosed
US-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-07-29 US disclosed
US-20030153611-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof AVENTIS PHARMA S.A. 2003-08-14 US disclosed
US-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US disclosed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
EP-0996432-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUMINSTITUT (DK) 2000-05-03 EP disclosed
WO-1999000114-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUM INSTITUT (DK) 1999-01-07 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 (4 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-20040147584-A2 1,3-DIARYLPROP-2-EN-1-ONES, COMPOSITIONS CONTAINING THEM AND USE THEREOF MCL1, ENPP1, MYC ALOX5 539/4885MAOB 1859/4885ABCG2 3826/4885
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 ALOX5 1298/4885MAOB 943/4885ABCG2 1177/4885
US-20050203170-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof MCL1, ENPP1, MYC ALOX5 539/4885MAOB 1859/4885ABCG2 3826/4885
US-20030153611-A1 1,3-Diarylprop-2-en-1-ones, compositions containing them and use thereof MCL1, ENPP1, MYC ALOX5 539/4885MAOB 1859/4885ABCG2 3826/4885

“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.