SCHEMBL6693201

SCHEMBL6693201

CCOC(=O)CC(c1ccccc1)c1c[nH]c2cc(Cc3ccccc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.50
GABRB2 P47870 3/20 0.50
GABRB1 P18505 1/20 0.50
GABRA3 P34903 1/20 0.50
MGAM O43451 10/20 0.46
GAA P10253 10/20 0.46
SI P14410 10/20 0.46
MGAM2 Q2M2H8 10/20 0.46
PKM P14618 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
GSK3B P49841 1/20 0.39
FEN1 P39748 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
SCHEMBL6831792 0.95 MGAM (0.53) GABRA1GABRB2GABRB1GABRA3MGAM
SCHEMBL6694223 0.93 MGAM (0.46) GABRA1GABRB2GABRB1GABRA3MGAM
SCHEMBL6692805 0.93 MGAM (0.51) GABRA1GABRB2GABRB1GABRA3MGAM
SCHEMBL6694033 0.93 MGAM (0.56) GABRA1GABRB2GABRB1GABRA3MGAM
SCHEMBL6694206 0.92 MGAM (0.55) GABRA1GABRB2GABRB1GABRA3MGAM
SCHEMBL6693172 0.92 GABRA1 (0.58) GABRA1GABRB2GABRB1GABRA3MGAM
SCHEMBL6701522 0.91 MGAM (0.45) GABRA1GABRB2GABRB1GABRA3MGAM
SCHEMBL6698257 0.90 GABRA1 (0.48) GABRA1GABRB2GABRB1GABRA3MGAM
SCHEMBL6165678 0.86 GAA (0.49) MGAMGAASIMGAM2PKM
SCHEMBL6164752 0.81 GAA (0.46) MGAMGAASIMGAM2

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 3 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

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 GABRA1 4166/4885GABRB2 4495/4885GABRB1 4079/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R GABRA1 3620/4885GABRB2 3687/4885GABRB1 3068/4885

“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.