SCHEMBL6421680

SCHEMBL6421680

O=C/C=C/c1sccc1C1OCCO1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
DRD3 P35462 1/20 0.31
KEAP1 Q14145 1/20 0.31

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
SCHEMBL6421685 1.00 ALDH1A1 (0.45) ALDH1A1POLBDRD3KEAP1
SCHEMBL22733816 0.76 ALDH1A1 (0.46) ALDH1A1POLBDRD3KEAP1
SCHEMBL3835331 0.72 ALDH1A1 (0.46) ALDH1A1POLBDRD3KEAP1
SCHEMBL10373935 0.68 ALDH1A1 (0.45) ALDH1A1POLBDRD3KEAP1
SCHEMBL470176 0.67 KEAP1 (0.38) ALDH1A1POLBDRD3KEAP1
SCHEMBL6423839 0.67 ALDH1A1 (0.36) ALDH1A1POLBDRD3KEAP1
SCHEMBL6757801 0.66 KEAP1 (0.37) ALDH1A1POLBDRD3KEAP1
SCHEMBL7950945 0.66 ALDH1A1 (0.35) ALDH1A1
SCHEMBL6420253 0.66 KEAP1 (0.37) ALDH1A1POLBDRD3KEAP1
SCHEMBL27034799 0.66 ALDH1A1 (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050227978-A1 Fibrosis inhibitor SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2005-10-13 US disclosed
EP-1479384-A1 FIBROSIS INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-11-24 EP disclosed
US-20040209939-A1 Pyrrole derivatives SUMITOMO PHARMACEUTICALS CO., LTD. 2004-10-21 US disclosed
US-6759429-B2 HAVING TRANSFORMING GROWTH FACTOR- BETA INHIBITORY ACTIVITY AND BEING USEFUL AS FIBROSIS INHIBITORS FOR ORGANS OR TISSUES SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2004-07-06 US disclosed
US-20030181496-A1 Pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2003-09-25 US disclosed
EP-1310485-A1 PYRROLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-05-14 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 (3 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-20050227978-A1 Fibrosis inhibitor SMAD3, MMP1, SMAD2 ALDH1A1 476/4885POLB 4498/4885DRD3 3621/4885
US-20030181496-A1 Pyrrole derivatives NCOA1, PKD1, NR3C2 ALDH1A1 603/4885POLB 3063/4885DRD3 1216/4885
US-20040209939-A1 Pyrrole derivatives NCOA1, PKD1, NCOR1 ALDH1A1 530/4885POLB 3233/4885DRD3 1032/4885

“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.