SCHEMBL12460200

SCHEMBL12460200

C=CC(C)(CCC=C(C)C)Oc1c2ccoc2cc2oc(=O)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ CYP1B1 Q16678 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ ACHE P22303 1/20 0.61
▸ CYP3A4 P08684 8/20 0.59
▸ KDM4E B2RXH2 5/20 0.59
▸ CYP2D6 P10635 3/20 0.59
▸ CYP2C19 P33261 3/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ BACE1 P56817 2/20 0.59
▸ CYP2B6 P20813 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ CYP2E1 P05181 1/20 0.59
▸ CYP3A5 P20815 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ MAPK1 P28482 1/20 0.59

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
Isoimperatorin SCHEMBL15090959 0.76 ALDH1A1 (1.00) ALDH1A1CYP1B1LMNAACHECYP3A4
Bergamottin SCHEMBL569529 0.74 CYP3A4 (1.00) ALDH1A1CYP1B1LMNAACHECYP3A4
Bergamottin SCHEMBL7183139 0.74 CYP3A4 (1.00) ALDH1A1CYP1B1LMNAACHECYP3A4
Bergamottin SCHEMBL29556462 0.74 CYP3A4 (1.00) ALDH1A1CYP1B1LMNAACHECYP3A4
Bergamottin SCHEMBL14029418 0.74 CYP3A4 (1.00) ALDH1A1CYP1B1LMNAACHECYP3A4
SCHEMBL30375774 0.69 CYP3A4 (0.72) ALDH1A1CYP1B1LMNAACHECYP3A4
Bergapten SCHEMBL50066 0.69 ALDH1A1 (1.00) ALDH1A1CYP1B1LMNAACHECYP3A4
Bergapten SCHEMBL29529284 0.69 ALDH1A1 (1.00) ALDH1A1CYP1B1LMNAACHECYP3A4
Bergapten SCHEMBL4731782 0.69 ALDH1A1 (1.00) ALDH1A1CYP1B1LMNAACHECYP3A4
SCHEMBL9122678 0.68 ALDH1A1 (0.71) ALDH1A1CYP1B1LMNAACHECYP3A4

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 5 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
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
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

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 ALDH1A1 363/4885CYP1B1 51/4885LMNA 3706/4885

“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