SCHEMBL4809149

SCHEMBL4809149

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 4/20 0.33
PTGER4 P35408 1/20 0.33
PTGER2 P43116 4/20 0.32
NR5A2 O00482 2/20 0.32
ALDH1A1 P00352 2/20 0.31
TBXA2R P21731 2/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
ESR2 Q92731 1/20 0.31
PDK2 Q15119 1/20 0.31
TSHR P16473 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PTGER1 P34995 1/20 0.31

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
SCHEMBL4813400 0.88 FFAR4 (0.33) PTGER3PTGER4PTGER2ALDH1A1TSHR
SCHEMBL9739325 0.86 PTGER3 (0.34) PTGER3PTGER4PTGER2NR5A2ALDH1A1
SCHEMBL209037 0.85 MAPT (0.37) PTGER4PTGER2ALDH1A1CYP3A4TSHR
SCHEMBL39320 0.84 TBXAS1 (0.31)
SCHEMBL6492997 0.82 PTGFR (0.37) PTGER3NR5A2TBXA2RPDK2TSHR
SCHEMBL9784227 0.81 PTGFR (0.40) PTGER3PTGER4PTGER2NR5A2ALDH1A1
SCHEMBL995190 0.81 GPR84 (0.33) ALDH1A1ESR1TSHRALOX15HSD17B10
SCHEMBL1263978 0.81 KMT2A (0.51) PTGER3NR5A2ALDH1A1TBXA2RESR1
SCHEMBL7114359 0.80 PTGFR (0.34) PTGER2NR5A2ALDH1A1PDK2PTGER1
SCHEMBL38997 0.80

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 PTGER3 4648/4885PTGER4 3973/4885PTGER2 4170/4885
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BBOX1, NEFM, NQO1 PTGER3 2599/4885PTGER4 1456/4885PTGER2 2518/4885

“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.