SCHEMBL500045

SCHEMBL500045

COc1cc(CCCC(=O)O)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TUBB4A P04350 3/20 0.54
TUBB P07437 3/20 0.54
TUBA3C P0DPH7 3/20 0.54
TUBA1B P68363 3/20 0.54
TUBA4A P68366 3/20 0.54
TUBB4B P68371 3/20 0.54
TUBB3 Q13509 3/20 0.54
TUBB2A Q13885 3/20 0.54
TUBB8 Q3ZCM7 3/20 0.54
TUBA3E Q6PEY2 3/20 0.54
TUBA1A Q71U36 3/20 0.54
TUBA1C Q9BQE3 3/20 0.54
TUBB6 Q9BUF5 3/20 0.54
TUBB2B Q9BVA1 3/20 0.54
TUBB1 Q9H4B7 3/20 0.54
HTR2A P28223 1/20 0.53
HTR2C P28335 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
SCHEMBL429622 0.89 KMT2A (0.57) POLBMAPK1SMN1; SMN2TUBB4ATUBB
SCHEMBL29598883 0.86 SELP (0.48) MAPK1SMN1; SMN2KMT2AMEN1SELP
SCHEMBL11016507 0.86 HTR2A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2987253 0.85 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9250363 0.85 POLB (0.48) POLBMAPK1SMN1; SMN2TUBB4ATUBB
SCHEMBL10835543 0.82 PTGS2 (0.53) POLBMAPK1SMN1; SMN2KMT2APTGS2
SCHEMBL9259385 0.82 PPARA (0.45) POLBMAPK1SMN1; SMN2TUBB4ATUBB
SCHEMBL27043019 0.81 ALOX5 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10959061 0.81 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL503571 0.81 PLAAT3 (0.61) SELP

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 14 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
US-7781373-B2 Stabilized dyes for thermal dye transfer materials EASTMAN KODAK COMPANY (US) 2010-08-24 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
US-20080182212-A1 STABILIZED DYES FOR THERMAL DYE TRANSFER MATERIALS ENCINA PRIVATE CREDIT SPV 2, LLC, AS COLLATERAL AGENT 2008-07-31 US 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
EP-0888303-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-01-07 EP 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
WO-1997031898-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING 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 POLB 2530/4885MAPK1 2610/4885SMN1; SMN2 1404/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 POLB 3203/4885MAPK1 4279/4885SMN1; SMN2 4349/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 POLB 3026/4885MAPK1 4400/4885SMN1; SMN2 4314/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 POLB 3620/4885MAPK1 4212/4885SMN1; SMN2 4117/4885

“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.