SCHEMBL4229896

SCHEMBL4229896

CCc1ccc(-c2ncc(F)c(NCCCOc3ccc4[nH]cc(C(C)C(=O)O)c4c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 4/20 0.38
CYP2C19 P33261 4/20 0.38
LMNA P02545 3/20 0.38
CYP2C9 P11712 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
TP53 P04637 2/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
TRPV1 Q8NER1 1/20 0.36
USP2 O75604 3/20 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
SCHEMBL2004872 0.94 CYP1A2 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL2004833 0.92 CYP1A2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL2004819 0.88 PPARD (0.40) PPARDPPARAKDM4EMTNR1AMTNR1B
SCHEMBL4229893 0.85 PPARA (0.40) PPARDPPARALMNAKDM4EMEN1
SCHEMBL2026487 0.82 HTR1A (0.36) PPARDPPARAKDM4EMAPTMTNR1A
SCHEMBL2004366 0.80 MTNR1A (0.39) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL2004870 0.78 CHRNA7 (0.37) PPARDPPARAKDM4EKMT2AMAPT
SCHEMBL12568719 0.78 ITGB3 (0.43) PPARDPPARAKDM4ESMN1; SMN2USP1
SCHEMBL2004830 0.77 KDM4E (0.37) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL2006659 0.74 PPARD (0.47) PPARDPPARAKDM4EMTNR1AMTNR1B

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-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 (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-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT PPARD 452/4885PPARA 243/4885CYP1A2 404/4885

“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.