SCHEMBL6492997

SCHEMBL6492997

CC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(Oc3ccccc3)C(C)(C)C2)CC(C)(C)N1Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 3/20 0.37
TBXA2R P21731 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGDR Q13258 1/20 0.37
PDK2 Q15119 3/20 0.35
NR5A2 O00482 1/20 0.34
FFAR4 Q5NUL3 6/20 0.34
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL209037 0.85 MAPT (0.37) PTGFRPTGER1MAPTRXFP1TSHR
SCHEMBL1263978 0.85 KMT2A (0.51) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL10903683 0.85 GAA (0.35) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL10903758 0.85 GAA (0.35) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL9739325 0.84 PTGER3 (0.34) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL15911950 0.83 ALDH1A1 (0.33) FFAR4HDAC11TSHRKMT2ATBXAS1
SCHEMBL1264361 0.83 FFAR1 (0.34) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL993913 0.82 ALDH1A1 (0.35) FFAR4HDAC11TSHRKMT2ATBXAS1
SCHEMBL4809149 0.82 PTGER3 (0.33) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL9244463 0.82 PPARA (0.36) PTGFRPTGER1HDAC3HDAC4HDAC1

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-6841668-B2 Polyoxometalate catalysts for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-01-11 US disclosed
US-20030208071-A1 Polyoxometalate catalysts for the preparation of sterically hindered N-substituted aryloxyamines CIBA SPECIALTY CHEMICALS CORP. 2003-11-06 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-20030208071-A1 Polyoxometalate catalysts for the preparation of sterically hindered N-substituted aryloxyamines KMO, PPOX, TAOK1 PTGFR 2942/4885TBXA2R 2072/4885PTGER1 3930/4885

“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.