SCHEMBL6102385

SCHEMBL6102385

CC(C)(C)c1cc(NC(=O)c2cc(Br)ccc2OP(=O)(OCc2ccccc2)OCc2ccccc2)cc(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.52
POLB P06746 1/20 0.47
NR1H4 Q96RI1 4/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GFER P55789 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
PPARD Q03181 1/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL6101699 0.85 LRRK2 (0.52) LRRK2NR1H4PPARGPPARACYP1A2
SCHEMBL6103242 0.85 LRRK2 (0.57) LRRK2POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL17859072 0.84 LRRK2 (0.52) LRRK2POLBNR1H4PPARGPPARA
SCHEMBL3496634 0.81 ALDH1A1 (0.52) LRRK2POLBNR1H4ALDH1A1SMN1; SMN2
SCHEMBL3499940 0.79 TRPV1 (0.53) LRRK2ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL16707259 0.79 LRRK2 (0.55) LRRK2POLBNR1H4PPARGCYP1A2
SCHEMBL3497642 0.78 LRRK2 (0.57) LRRK2POLBNR1H4PPARGCYP1A2
SCHEMBL4490708 0.77 RXFP1 (0.46) LRRK2NR1H4PPARGPPARAKDM4E
SCHEMBL20280065 0.75 LRRK2 (0.53) LRRK2POLBNR1H4PPARGCYP1A2
SCHEMBL17858984 0.74 LRRK2 (0.55) LRRK2ALDH1A1MAPTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-04 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-20060094718-A1 2-Morpholinocarbonyloxy-),5-(phenylethenyl,N-((3,5-bistrifluoromethyl-)phenyl)-benzamide; inhibitors of nuclear factor kappa B activation; cytokine suppressive antiinflammatory drugs(interleukin (IL-1, IL-6, IL-8) inhibitors); tumor necrosis factor (TNF-alpha) inhibitors; side effects reduction IL1A, TNF, NFKBIA LRRK2 4237/4885POLB 2254/4885NR1H4 2588/4885

“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.