SCHEMBL6142876

SCHEMBL6142876

COc1ccc(-c2coc3cc(OC(=O)C(C)(C)C)ccc3c2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.70
ALDH1A1 P00352 6/20 0.70
SMN1; SMN2 Q16637 6/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
MAOA P21397 4/20 0.70
MAOB P27338 4/20 0.70
KDM4E B2RXH2 3/20 0.70
TP53 P04637 3/20 0.70
CYP3A4 P08684 2/20 0.70
HPGD P15428 2/20 0.70
HSD17B10 Q99714 2/20 0.70
HDAC6 Q9UBN7 2/20 0.70
XDH P47989 1/20 0.70
BCL2 P10415 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
IL2 P60568 1/20 0.70
CYP1B1 Q16678 1/20 0.70

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
SCHEMBL6143110 0.89 ALDH1A1 (0.76) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2069145 0.87 RAB9A (0.80) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL571576 0.85 XDH (0.84) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28648204 0.84 MAPT (0.76) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6142590 0.83 RAB9A (0.77) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL26145323 0.83 CYP3A4 (0.74) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL738941 0.83 ALDH2 (0.80) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL28643838 0.83 MAPT (0.74) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Formononetin SCHEMBL15271536 0.83 KDM4E (1.00) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
Isoformonentin SCHEMBL73338 0.83 XDH (1.00) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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-6951883-B2 2H-1-benzopyran derivatives processes for their preparation and pharmaceutical compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2005-10-04 US disclosed
EP-1355906-B1 2H-1-BENZOPYRAN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CHIESI FARMA SPA (IT) 2005-01-12 EP disclosed
US-20040106595-A1 2H-1-benzopyran derivatives processes for their preparation and pharmaceutical compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2004-06-03 US disclosed
EP-1355906-A1 2H-1-BENZOPYRAN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.p.A. (IT) 2003-10-29 EP disclosed
EP-1281710-A1 2H-1-benzopyran derivatives, processes for their preparation and pharmaceutical compositions thereof CHIESI FARMACEUTICI S.p.A. (IT) 2003-02-05 EP disclosed
WO-2002059113-A1 2H-1-BENZOPYRAN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2002-08-01 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-20040106595-A1 2H-1-benzopyran derivatives processes for their preparation and pharmaceutical compositions thereof CYP19A1, BRCA1, HPD MAPT 2499/4885ALDH1A1 793/4885SMN1; SMN2 2778/4885

“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.