SCHEMBL6694980

SCHEMBL6694980

CCOC(=O)CC(c1ccc(-c2ccccc2)cc1)c1c[nH]c2cc(O)ccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.47
MGAM O43451 11/20 0.47
SI P14410 11/20 0.47
MGAM2 Q2M2H8 11/20 0.47
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK10 P53779 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.40
SCN9A Q15858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.38

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
SCHEMBL6165678 0.94 GAA (0.49) GAAMGAMSIMGAM2KMT2A
SCHEMBL6697051 0.90 GAA (0.52) GAAMGAMSIMGAM2KMT2A
SCHEMBL6696915 0.89 GAA (0.43) GAAMGAMSIMGAM2KMT2A
SCHEMBL6692363 0.88 MGAM (0.50) GAAMGAMSIMGAM2ALOX5
SCHEMBL6697592 0.88 GAA (0.45) GAAMGAMSIMGAM2KMT2A
SCHEMBL6692286 0.88 GAA (0.52) GAAMGAMSIMGAM2MAPT
SCHEMBL6698722 0.88 MGAM (0.54) GAAMGAMSIMGAM2KMT2A
SCHEMBL6170334 0.87 IMPDH2 (0.45) GAAMGAMSIMGAM2KMT2A
SCHEMBL6696940 0.86 ALDH1A1 (0.49) GAAMGAMSIMGAM2KMT2A
SCHEMBL6693998 0.86 MGAM (0.41) GAAMGAMSIMGAM2KMT2A

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
US-20040138284-A1 Indol-3-yl derivatives WIESNER MATTHIAS 2004-07-15 US disclosed
US-6743810-B2 INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC MERCK PATENT GMBH (DE) 2004-06-01 US disclosed
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 US disclosed
EP-1254133-A2 INDOL-3-YL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-06 EP disclosed
WO-2001058893-A2 INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2001-08-16 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 (2 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-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 GAA 3469/4885MGAM 811/4885SI 121/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R GAA 3882/4885MGAM 1542/4885SI 918/4885

“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.