SCHEMBL6855803

SCHEMBL6855803

COc1cc(C2CC(=O)Nc3c2cc(Br)c2ccccc32)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 3/20 0.51
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 2/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL880268 0.83 LMNA (0.61) LMNASMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL18268208 0.78 KDM4E (0.41) SMN1; SMN2TP53KMT2AALDH1A1MAPK1
SCHEMBL18268192 0.77 LMNA (0.69) LMNASMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL880238 0.76 ALDH1A1 (0.51) LMNASMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL18268197 0.74 LMNA (0.59) LMNASMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL15077972 0.74 NPC1 (0.43) LMNASMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL18268204 0.70 LMNA (0.47) LMNASMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL18268193 0.69 CA2 (0.39) LMNAKMT2AALDH1A1MEN1MAPT
SCHEMBL25492207 0.68 LMNA (0.52) LMNASMN1; SMN2TP53KMT2AALDH1A1
SCHEMBL22126270 0.67 TP53 (1.00) LMNASMN1; SMN2TP53ALDH1A1MAPT

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-8987294-B2 Small molecule inhibitors of the α4-paxillin interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-24 US disclosed
US-8987294-B2 Small molecule inhibitors of the α4-paxillin interaction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-24 US disclosed
US-20120245194-A1 SMALL MOLECULE INHIBITORS OF THE ALPHA4-PAXILLIN INTERACTION University of California Technology Transfer (US) 2012-09-27 US disclosed
US-20120245194-A1 SMALL MOLECULE INHIBITORS OF THE ALPHA4-PAXILLIN INTERACTION University of California Technology Transfer (US) 2012-09-27 US disclosed
WO-2011034896-A2 SMALL MOLECULE INHIBITORS OF THE ALPHA4-PAXILLIN INTERACTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-24 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 (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-20120245194-A1 SMALL MOLECULE INHIBITORS OF THE ALPHA4-PAXILLIN INTERACTION ILK, LPXN, DOCK5 LMNA 460/4885SMN1; SMN2 2208/4885TP53 1345/4885

“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.