SCHEMBL499794

SCHEMBL499794

COc1cc(CCC(=O)c2cccc(O)c2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.54
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.49
MAPT P10636 1/20 0.49
ALOX5 P09917 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47

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
SCHEMBL14922414 0.92 LMNA (0.48) LMNAABCG2KMT2AMEN1MAPT
SCHEMBL7195774 0.88 MAPT (0.56) LMNAKMT2AMEN1MAPTTUBB4A
SCHEMBL498990 0.86 ACHE (0.56) LMNAKMT2AMEN1MAPT
SCHEMBL21571932 0.83 LMNA (0.52) LMNAKMT2AMEN1MAPTTUBB4A
SCHEMBL21690170 0.83 ABCG2 (0.50) ABCG2KMT2AMEN1
SCHEMBL7197444 0.82 TUBB1 (0.62) KMT2AMEN1MAPTTUBB4ATUBB
SCHEMBL14922413 0.82 CYP19A1 (0.51) LMNAKMT2AMEN1MAPT
SCHEMBL7194819 0.80 KMT2A (0.65) LMNAKMT2AMEN1MAPTTUBB4A
SCHEMBL23351376 0.79 KMT2A (0.50) LMNAKMT2AMEN1MAPTALOX5
SCHEMBL9089602 0.78 CALM1 (0.64) MAPTTUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20120130076-A1 Synthetic Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8106191-B2 Compounds based on N- acyl-pipecolyl and N-acyl-prolyl ligand moieties for multimerizing chimeric proteins containing immunophilin-derived domains ARIAD PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
EP-0888303-B1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD PHARMA INC (US) 2010-04-21 EP disclosed
EP-0776327-B1 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS INC (US) 2005-07-06 EP disclosed
US-20040006233-A1 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030036654-A1 Synthetic multimerizing agents HOLT DENNIS A (US) 2003-02-20 US disclosed
US-20020161240-A1 Synthetic multimerizing agents ARIAD GENE THERAPEUTICS, INC. 2002-10-31 US disclosed
US-6150527-A Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6133456-A DIMERS OF THE MACROCYCLIC NATURAL PRODUCT, FK506, COVALENTLY ATTACHED TO EACH OTHER VIA A SYNTHETIC LINKER MOIETY ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-17 US disclosed
WO-1997031899-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERISING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 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 (4 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-20020161240-A1 Synthetic multimerizing agents SSB, F13B, LCP2 LMNA 800/4885ABCG2 3535/4885KMT2A 2738/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 LMNA 3392/4885ABCG2 1651/4885KMT2A 1904/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 LMNA 3381/4885ABCG2 1532/4885KMT2A 1992/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 LMNA 4343/4885ABCG2 1555/4885KMT2A 1864/4885

“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.