SCHEMBL4813400

SCHEMBL4813400

CC(C)(CON1C(C)(C)CC(C(CCCC(=O)O)(C(=O)O)C2CC(C)(C)N(OCC(C)(C)c3ccccc3)C(C)(C)C2)CC1(C)C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.33
PTGER2 P43116 3/20 0.32
RBP4 P02753 1/20 0.31
KMT2A Q03164 3/20 0.31
TSHR P16473 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
HTR2C P28335 1/20 0.30
MEN1 O00255 2/20 0.30
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4809149 0.88 PTGER3 (0.33) PTGER2RBP4KMT2ATSHRCYP2C9
SCHEMBL38997 0.83
SCHEMBL9739325 0.81 PTGER3 (0.34) PTGER2RBP4KMT2ATSHRCYP2C9
SCHEMBL27657095 0.80 GAA (0.42) PTGER2RBP4KMT2ATSHRPTGER4
SCHEMBL209037 0.80 MAPT (0.37) PTGER2KMT2ATSHRCYP2C9CYP2C19
SCHEMBL39320 0.79 TBXAS1 (0.31)
SCHEMBL6492997 0.78 PTGFR (0.37) FFAR4KMT2ATSHRPTGER3MAPT
SCHEMBL9784227 0.77 PTGFR (0.40) PTGER2TSHRCYP2C9CYP2C19PTGER4
SCHEMBL39301 0.76
SCHEMBL1232053 0.76 GAA (0.44) KMT2ATSHRMEN1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2012-06-28 US claimed
US-8859235-B2 Methods in cell cultures, and related inventions, employing certain additives BASF SE (DE) 2014-10-14 US disclosed
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2012-06-28 US disclosed
US-7390904-B2 Hydrogen peroxide catalyzed process for the preparation of sterically hindered N-hydrocarbyloxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-06-24 US disclosed
US-20050014948-A1 Hydrogen peroxide catalyzed process for the preparation of sterically hindered N-hydrocarbyloxyamines CIBA SPECIALTY CHEMICALS CORP. 2005-01-20 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-20050014948-A1 Hydrogen peroxide catalyzed process for the preparation of sterically hindered N-hydrocarbyloxyamines HAO2, SOD1, PPOX FFAR4 2323/4885PTGER2 4170/4885RBP4 3896/4885
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BBOX1, NEFM, NQO1 FFAR4 3712/4885PTGER2 2518/4885RBP4 4011/4885

“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.