SCHEMBL1714349

SCHEMBL1714349

C=CC(C)(CCC=C(C)C)c1c2occc2c(O)c2ccc(=O)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ CYP1A1 P04798 3/20 0.43
▸ ABCB1 P08183 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ BACE1 P56817 6/20 0.43
▸ CYP3A4 P08684 7/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ HPGD P15428 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP3A5 P20815 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL30945593 0.73 PDE4D (0.55) CYP1B1MAPTCYP1A1ABCB1CYP1A2
SCHEMBL13532215 0.71 BACE1 (0.57) CYP1B1MAPTCYP1A1ABCB1CYP1A2
SCHEMBL6272567 0.68 MAOA (0.54) CYP1B1MAPTCYP1A1ABCB1CYP1A2
SCHEMBL12460200 0.67 ALDH1A1 (0.61) CYP1B1MAPTCYP1A1CYP1A2BACE1
SCHEMBL10319923 0.67 CYP3A4 (0.57) CYP1B1MAPTCYP1A1ABCB1CYP1A2
SCHEMBL30365667 0.66 CYP3A4 (0.63) CYP1B1MAPTCYP1A1ABCB1CYP1A2
SCHEMBL434686 0.63 CYP3A4 (0.80) CYP1B1MAPTCYP1A1ABCB1CYP1A2
SCHEMBL31542614 0.63 CYP3A4 (0.80) CYP1B1MAPTCYP1A1ABCB1CYP1A2
SCHEMBL31315053 0.62 CYP1B1 (0.88) CYP1B1MAPTCYP1A1ABCB1CYP1A2
SCHEMBL27536887 0.62 HIF1A (0.58) CYP3A4ALDH1A1HPGDALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786820-B1 9-(1',5'-DIMETHYL-1'-VINYL-4'-HEXENYL)-4-HYDROXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE AS ANTIBACTERIAL AGENT TAKASAGO PERFUMERY CO LTD (JP) 2011-07-20 — — EP disclosed
EP-1786820-B1 9-(1',5'-DIMETHYL-1'-VINYL-4'-HEXENYL)-4-HYDROXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE AS ANTIBACTERIAL AGENT TAKASAGO PERFUMERY CO LTD (JP) 2011-07-20 — — EP disclosed
CN-101274936-B Preparation for furocoumarin compound 4 - hydroxy-9-(3,7-dimethylocata-1,6-dien-3-yl)-7H-furo[3,2-g] chromen-7-one and application of the compound DAMIN FOOD ZHANGZHOU CO LTD 2011-06-15 — — CN disclosed
CN-101274936-B Preparation for furocoumarin compound 4 - hydroxy-9-(3,7-dimethylocata-1,6-dien-3-yl)-7H-furo[3,2-g] chromen-7-one and application of the compound DAMIN FOOD ZHANGZHOU CO LTD 2011-06-15 — — CN disclosed
US-7473789-B2 9-(1′,5′-dimethyl-1′-vinyl -4′- hexenyl)-4-hydroxy-7H-furo[3,2-γ] [1] benzopyran-7-one as antibacterial agent TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-06 — — US disclosed
US-7473789-B2 9-(1′,5′-dimethyl-1′-vinyl -4′- hexenyl)-4-hydroxy-7H-furo[3,2-γ] [1] benzopyran-7-one as antibacterial agent TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-06 — — US disclosed
CN-101274936-A Preparation for furocoumarin compound 4 - hydroxy-9-(3,7-dimethylocata-1,6-dien-3-yl)-7H-furo[3,2-g] chromen-7-one and application of the compound DAMIN FOOD ZHANGZHOU CO LTD (CN) 2008-10-01 — — CN disclosed
CN-101274936-A Preparation for furocoumarin compound 4 - hydroxy-9-(3,7-dimethylocata-1,6-dien-3-yl)-7H-furo[3,2-g] chromen-7-one and application of the compound DAMIN FOOD ZHANGZHOU CO LTD (CN) 2008-10-01 — — CN disclosed
US-20080081918-A1 9-(1',5'-Dimethyl-1'-Vinyl -4'- Hexenyl)-4-Hydroxy-7H-Furo[3,2-G][1] Benzopyran-7-One as Antibactrerial Agent TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-04-03 — — US disclosed
US-20080081918-A1 9-(1',5'-Dimethyl-1'-Vinyl -4'- Hexenyl)-4-Hydroxy-7H-Furo[3,2-G][1] Benzopyran-7-One as Antibactrerial Agent TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-04-03 — — US disclosed
EP-1786820-A1 9-(1',5'-DIMETHYL-1'-VINYL-4'-HEXENYL)-4-HYDROXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE AS ANTIBACTERIAL AGENT Takasago International Corporation (JP) 2007-05-23 — — EP disclosed
WO-2006028024-A1 9-(1’,5’-DIMETHYL-1’-VINYL-4’-HEXENYL)-4-HYDROXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE AS ANTIBACTERIAL AGENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-03-16 — — 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 (1 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-20080081918-A1 9-(1',5'-Dimethyl-1'-Vinyl -4'- Hexenyl)-4-Hydroxy-7H-Furo[3,2-G][1] Benzopyran-7-One as Antibactrerial Agent FOSB, IL1B, RPS6KB1 CYP1B1 51/4885MAPT 4343/4885CYP1A1 407/4885

“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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