SCHEMBL6008494

SCHEMBL6008494

[O]C(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
CYP1A2 P05177 3/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP2A6 P11509 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACP3 P15309 1/20 0.44
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HPRT1 P00492 1/20 0.42

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
SCHEMBL9669273 0.85 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL18242412 0.83 ALDH1A1 (0.71) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL18243597 0.81 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL5610075 0.81 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL20560402 0.81 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL5610170 0.81 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL5609782 0.81 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL27548 0.81 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL11444158 0.80 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6
SCHEMBL28192 0.80 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP2C9CYP2C19CYP2A6

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-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 ALDH1A1 228/4885CYP1A2 68/4885CYP2C9 536/4885

“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.