SCHEMBL5996829

SCHEMBL5996829

CCCCOc1ccc(CC(=O)NCC(c2ccc3c(c2)OCO3)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PDE4A P27815 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPK1 P28482 1/20 0.42
RORC P51449 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
SCHEMBL5998887 0.84 RAB9A (0.55) RAB9AHPGDNPC1ALDH1A1LMNA
SCHEMBL7168161 0.78 NPC1 (0.47) RAB9AHPGDNPC1LMNASMN1; SMN2
SCHEMBL5997191 0.76 HPGD (0.46) RAB9AHPGDNPC1ALDH1A1LMNA
SCHEMBL5996332 0.70 TP53 (0.54) RAB9ANPC1LMNAGAASMN1; SMN2
SCHEMBL5998358 0.69 HPGD (0.58) RAB9AHPGDNPC1ALDH1A1LMNA
SCHEMBL5325572 0.69 ALDH1A1 (0.60) RAB9AHPGDNPC1ALDH1A1LMNA
SCHEMBL3836213 0.69 LMNA (0.71) RAB9AHPGDNPC1ALDH1A1LMNA
SCHEMBL5999513 0.69 NPC1 (0.52) RAB9AHPGDNPC1ALDH1A1LMNA
SCHEMBL24559452 0.68 RAB9A (0.58) RAB9AHPGDNPC1ALDH1A1LMNA
SCHEMBL5151908 0.68 ITGB3 (0.57) RAB9AHPGDNPC1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US claimed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US claimed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US claimed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US claimed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP claimed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 WO claimed
US-7141674-B2 Anti-inflammatory compounds JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2006-11-28 US disclosed
US-20040082601-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2004-04-29 US disclosed
US-20030171585-A1 Triphenylpropanamide compounds SCOTT MALCOLM K (US) 2003-09-11 US disclosed
US-6509369-B2 Triphenylpropanamide compounds; useful in treating inflammations but which do not demonstrate side effects associated with other anti-inflammatory treatments such as glucocorticoids ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-21 US disclosed
US-20020103217-A1 Anti-inflammatory compounds SCOTT MALCOLM K (US) 2002-08-01 US disclosed
EP-0966430-B1 ANTI-INFLAMMATORY COMPOUNDS ORTHO MCNEIL PHARM INC (US) 2002-06-05 EP disclosed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 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 (3 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-20040082601-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 RAB9A 3661/4885HPGD 189/4885NPC1 1491/4885
US-20030171585-A1 Triphenylpropanamide compounds PTGES, PTGES2, MPO RAB9A 3374/4885HPGD 544/4885NPC1 1914/4885
US-20020103217-A1 Anti-inflammatory compounds TNF, PTGES, PTGES2 RAB9A 3661/4885HPGD 189/4885NPC1 1491/4885

“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.