SCHEMBL2000563

SCHEMBL2000563

CC(C(=O)O)n1ccc2cc(OCCCBr)ccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.44
ITGAV P06756 7/20 0.44
MCL1 Q07820 5/20 0.42
PPARG P37231 3/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
BCL2 P10415 2/20 0.38
PLA2G4A P47712 1/20 0.38
ITGB5 P18084 1/20 0.37

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
SCHEMBL1995408 0.88 ITGB3 (0.41) ITGB3ITGAVMCL1PPARGPPARD
SCHEMBL2001952 0.87 PPARG (0.52) ITGB3ITGAVMCL1PPARGPPARD
SCHEMBL2002036 0.81 SRD5A2 (0.55) PPARDPPARA
SCHEMBL2002039 0.81 SRD5A2 (0.55) PPARDPPARA
SCHEMBL18258591 0.80 AKR1C3 (0.54) AKR1C3AKR1C2
SCHEMBL18258592 0.80 AKR1C3 (0.54) AKR1C3AKR1C2
SCHEMBL1998860 0.80 PPARD (0.47) PPARGPPARDPPARA
SCHEMBL2001227 0.80 NPSR1 (0.47) MCL1PPARGPPARDPPARA
SCHEMBL2003264 0.78 PPARG (0.47) ITGB3ITGAVMCL1PPARGPPARD
SCHEMBL2000849 0.78 PPARA (0.42) ITGB3ITGAVMCL1PPARGPPARD

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ITGB3 4684/4885ITGAV 4461/4885MCL1 2673/4885

“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.