SCHEMBL6582676

SCHEMBL6582676

COC(=O)C(O)c1cc(OC)c2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 3/20 0.46
ESR1 P03372 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PLK1 P53350 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ACHE P22303 2/20 0.42
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AHR P35869 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6583176 0.85 CYP3A4 (0.45) CYP3A4ALDH1A1ESR1SMN1; SMN2PLK1
SCHEMBL4713032 0.81 CYP3A4 (0.51) CYP3A4ALDH1A1ESR1SMN1; SMN2KMT2A
SCHEMBL10607668 0.80 CYP3A4 (0.46) CYP3A4ALDH1A1ESR1SMN1; SMN2PLK1
SCHEMBL3670353 0.79 ALDH1A1 (0.47) CYP3A4ALDH1A1ESR1SMN1; SMN2PLK1
SCHEMBL31405856 0.78 CYP3A4 (0.46) CYP3A4ALDH1A1ESR1SMN1; SMN2PLK1
SCHEMBL12781853 0.77 CYP3A4 (0.54) CYP3A4ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL10605438 0.77 CYP3A4 (0.46) CYP3A4ALDH1A1ESR1SMN1; SMN2KMT2A
SCHEMBL805660 0.77 EDNRA (0.55) CYP3A4ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7333884 0.76 CYP3A4 (0.48) CYP3A4ALDH1A1ESR1SMN1; SMN2PLK1
SCHEMBL6968876 0.76 CYP3A4 (0.47) CYP3A4ALDH1A1ESR1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901470-B1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER (US) 2004-03-31 EP disclosed
US-6384070-B2 RESTENOSIS, KIDNEY DISEASES, LUNG DISEASES PFIZER INC. 2002-05-07 US disclosed
US-6306852-B1 INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF A VARIETY OF DISEASES INCLUDING RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION, AND TO PHARMACEUTICAL FORMULATIONS CONTAINING SUCH COMPOUNDS. PFIZER INC. 2001-10-23 US disclosed
US-20010014677-A1 Restenosis, kidney diseases, lung diseases RAWSON DAVID JAMES (GB) 2001-08-16 US disclosed
US-6136843-A CARDIOVASCULAR DISORDERS; KIDNEY DISORDERS PFIZER INC (US) 2000-10-24 US disclosed
US-6017945-A USEFUL IN THE TREATMENT OF RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION PFIZER INC. (US) 2000-01-25 US disclosed
EP-0901470-A1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER INC. (US) 1999-03-17 EP disclosed
WO-1997043260-A1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER INC. (US) 1997-11-20 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-20010014677-A1 Restenosis, kidney diseases, lung diseases NR1H2, NR1H3, NR1H4 CYP3A4 1287/4885ALDH1A1 2584/4885ESR1 819/4885

“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.