SCHEMBL127388

SCHEMBL127388

CC(c1ccccc1)C(O)C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RIPK1 Q13546 1/20 0.41
CTSK P43235 3/20 0.40
AAK1 Q2M2I8 1/20 0.40
CTSS P25774 1/20 0.40
AOC3 Q16853 1/20 0.40
SLC6A4 P31645 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL13059481 0.86 ATM (0.44) ATML3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL27331415 0.84 ATM (0.42) ATML3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL27342092 0.84 ATM (0.42) ATML3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL18207061 0.81 LMNA (0.52) ATML3MBTL1KMT2AALDH1A1RIPK1
SCHEMBL15317926 0.81 KMT2A (0.60) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL29524720 0.81 KMT2A (0.60) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8593879 0.81 LMNA (0.52) ATML3MBTL1KMT2AALDH1A1RIPK1
SCHEMBL6287222 0.81 LMNA (0.52) ATML3MBTL1KMT2AALDH1A1RIPK1
SCHEMBL19419826 0.81 KMT2A (0.60) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL16931952 0.81 KMT2A (0.60) L3MBTL1KMT2AMEN1ALDH1A1MAPT

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-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-24 US disclosed
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2015-01-01 US disclosed
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. (US) 2014-11-06 US disclosed
US-20140274947-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2014-09-18 US disclosed
US-20140255374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2014-09-11 US disclosed
US-20130261173-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-10-03 US disclosed
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20120225825-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-09-06 US disclosed
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 US disclosed
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2012-03-15 US disclosed
US-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-08 US disclosed
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. 2011-09-29 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 (14 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-20120058971-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 ATM 2620/4885L3MBTL1 4278/4885KMT2A 4479/4885
US-20160082111-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 ATM 2620/4885L3MBTL1 4278/4885KMT2A 4479/4885
US-20140274947-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 ATM 2620/4885L3MBTL1 4278/4885KMT2A 4479/4885
US-20120225825-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 ATM 2620/4885L3MBTL1 4278/4885KMT2A 4479/4885
US-20130196946-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 ATM 2620/4885L3MBTL1 4278/4885KMT2A 4479/4885
US-20110237540-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 ATM 2620/4885L3MBTL1 4278/4885KMT2A 4479/4885
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC ATM 3920/4885L3MBTL1 3760/4885KMT2A 4529/4885
US-20140255374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 ATM 4251/4885L3MBTL1 4065/4885KMT2A 3696/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 ATM 4251/4885L3MBTL1 4065/4885KMT2A 3696/4885
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP ATM 3120/4885L3MBTL1 4247/4885KMT2A 4297/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 ATM 4251/4885L3MBTL1 4065/4885KMT2A 3696/4885
US-20130261173-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY SDCBP, DDOST, DSC1 ATM 2620/4885L3MBTL1 4278/4885KMT2A 4479/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP ATM 3120/4885L3MBTL1 4247/4885KMT2A 4297/4885
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC ATM 3920/4885L3MBTL1 3760/4885KMT2A 4529/4885

“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.