SCHEMBL6698722

SCHEMBL6698722

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 7/20 0.54
GAA P10253 7/20 0.54
SI P14410 7/20 0.54
MGAM2 Q2M2H8 7/20 0.54
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
AR P10275 1/20 0.41
POLB P06746 2/20 0.40
AHR P35869 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS2 P35354 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRK2 P25098 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 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
SCHEMBL6697592 0.93 GAA (0.45) MGAMGAASIMGAM2POLB
SCHEMBL6697051 0.90 GAA (0.52) MGAMGAASIMGAM2KMT2A
SCHEMBL6696915 0.89 GAA (0.43) MGAMGAASIMGAM2KMT2A
SCHEMBL6165678 0.89 GAA (0.49) MGAMGAASIMGAM2MAPT
SCHEMBL6692363 0.88 MGAM (0.50) MGAMGAASIMGAM2
SCHEMBL6694980 0.88 GAA (0.47) MGAMGAASIMGAM2MAPT
SCHEMBL6170334 0.87 IMPDH2 (0.45) MGAMGAASIMGAM2KMT2A
SCHEMBL6693998 0.86 MGAM (0.41) MGAMGAASIMGAM2POLB
SCHEMBL6692286 0.86 GAA (0.52) MGAMGAASIMGAM2MAPT
SCHEMBL6694206 0.85 MGAM (0.55) MGAMGAASIMGAM2NR3C1

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 MGAM 811/4885GAA 3469/4885SI 121/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R MGAM 1542/4885GAA 3882/4885SI 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.