SCHEMBL6701522

SCHEMBL6701522

CCOC(=O)CC(c1cccc(Cl)c1)c1c[nH]c2cc(Cc3ccccc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 8/20 0.45
GAA P10253 8/20 0.45
SI P14410 8/20 0.45
MGAM2 Q2M2H8 8/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRB2 P47870 1/20 0.45
PNP P00491 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
ALOX5 P09917 4/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL6693201 0.91 GABRA1 (0.50) MGAMGAASIMGAM2GABRA1
SCHEMBL6694033 0.91 MGAM (0.56) MGAMGAASIMGAM2GABRA1
SCHEMBL6692805 0.91 MGAM (0.51) MGAMGAASIMGAM2GABRA1
SCHEMBL6831792 0.87 MGAM (0.53) MGAMGAASIMGAM2GABRA1
SCHEMBL6164520 0.87 MGAM (0.45) MGAMGAASIMGAM2PNP
SCHEMBL6694223 0.85 MGAM (0.46) MGAMGAASIMGAM2GABRA1
SCHEMBL6694206 0.84 MGAM (0.55) MGAMGAASIMGAM2GABRA1
SCHEMBL6698257 0.84 GABRA1 (0.48) MGAMGAASIMGAM2GABRA1
SCHEMBL6693172 0.83 GABRA1 (0.58) MGAMGAASIMGAM2GABRA1
SCHEMBL6165678 0.78 GAA (0.49) MGAMGAASIMGAM2MAPT

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 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.