SCHEMBL2006433

SCHEMBL2006433

CCOC(=O)Cn1ccc2cc(OCCCNCc3nc(Cl)ncc3C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.43
BCL2 P10415 3/20 0.40
ITGB3 P05106 4/20 0.40
ITGAV P06756 4/20 0.40
ITGB5 P18084 1/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PLA2G4A P47712 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2002556 0.86 PPARG (0.47) MCL1ITGB3ITGAVPPARGPPARD
SCHEMBL2006435 0.81 MCL1 (0.45) MCL1BCL2PPARGPPARDPPARA
SCHEMBL9979614 0.78 MCL1 (0.51) MCL1BCL2PPARGPPARDPPARA
SCHEMBL4464391 0.76 PPARG (0.50) MCL1BCL2ITGB3ITGAVPPARG
SCHEMBL12568445 0.73 ITGB3 (0.45) MCL1BCL2ITGB3ITGAVITGB5
SCHEMBL29138523 0.72 MTNR1A (0.56) PDE4BPDE4DMTNR1AMTNR1BMAPT
SCHEMBL20037218 0.69 TDP1 (0.53) PDE4BPDE4DMAPTKMT2A
SCHEMBL4234775 0.69 PPARG (0.55) MCL1ITGB3ITGAVITGB5PPARG
SCHEMBL12568428 0.69 PPARG (0.44) MCL1BCL2ITGB3ITGAVITGB5
SCHEMBL2002557 0.69 PPARD (0.56) PPARGPPARDPPARA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT MCL1 2673/4885BCL2 2728/4885ITGB3 4684/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT MCL1 2673/4885BCL2 2728/4885ITGB3 4684/4885

“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.