SCHEMBL1928504

SCHEMBL1928504

CC(=O)Cc1ccc(OCc2c(C)noc2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.67
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
ALDH1A1 P00352 2/20 0.63
MAPK1 P28482 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
USP2 O75604 1/20 0.59
RORC P51449 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL3499932 0.89 GAA (0.71) GAALMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL15012218 0.87 LMNA (0.65) GAALMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL16771569 0.83 GAA (0.80) GAALMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL5881486 0.83 GAA (0.66) GAALMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL20511052 0.81 GAA (1.00) GAALMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL6800892 0.80 GAA (0.61) GAALMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL30636130 0.80 GAA (0.78) GAALMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL15032926 0.79 RORC (0.73) GAALMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL20510987 0.78 ALDH1A1 (0.79) GAALMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL15012195 0.78 RORC (0.69) GAALMNASMN1; SMN2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 GAA 1995/4885LMNA 3591/4885SMN1; SMN2 1573/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 GAA 1413/4885LMNA 3431/4885SMN1; SMN2 1274/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 GAA 1995/4885LMNA 3591/4885SMN1; SMN2 1573/4885

“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.