SCHEMBL423108

SCHEMBL423108

CC1(C)O[C@@H](C(C)(C)C)[C@@H](C(C)(C)C)O1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL420852 1.00 CYP3A4 (0.39) CYP3A4MAPK1MEN1KMT2A
SCHEMBL420861 1.00 CYP3A4 (0.39) CYP3A4MAPK1MEN1KMT2A
SCHEMBL421045 1.00 CYP3A4 (0.39) CYP3A4MAPK1MEN1KMT2A
SCHEMBL14944945 0.83 CYP3A4 (0.34) CYP3A4MAPK1MEN1KMT2A
SCHEMBL14944938 0.83 CYP3A4 (0.34) CYP3A4MAPK1MEN1KMT2A
SCHEMBL12905141 0.78 GAA (0.42) MEN1KMT2A
SCHEMBL12952536 0.77 CYP3A4 (0.31) CYP3A4MAPK1
SCHEMBL12455836 0.75 CYP3A4 (0.46) CYP3A4MAPK1MEN1KMT2A
SCHEMBL18476416 0.71
SCHEMBL12389690 0.69 PABPC1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-03 US disclosed
US-20150141638-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2015-05-21 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-20140288024-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2014-09-25 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-20140072633-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS AND RELATED METHODS OF USE CERULEAN PHARMA INC. (US) 2014-03-13 US disclosed
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-20130096293-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2013-04-18 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-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS CERULEAN PHARMA INC. 2012-08-23 US disclosed
US-20120065161-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2012-03-15 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-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 US disclosed
US-20100285144-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-11-11 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-20140288024-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, STT3B, STT3A CYP3A4 3070/4885MAPK1 4700/4885MEN1 4477/4885
US-20130096293-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, STT3B, STT3A CYP3A4 3070/4885MAPK1 4700/4885MEN1 4477/4885
US-20140072633-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS AND RELATED METHODS OF USE EPOR, TTPA, PSAP CYP3A4 3727/4885MAPK1 4741/4885MEN1 1363/4885
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CYP3A4 3210/4885MAPK1 4131/4885MEN1 2879/4885
US-20120065161-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY DDOST, SDCBP, STT3B CYP3A4 2989/4885MAPK1 4729/4885MEN1 4554/4885
US-20140255374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CYP3A4 4765/4885MAPK1 4572/4885MEN1 1397/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CYP3A4 4765/4885MAPK1 4572/4885MEN1 1397/4885
US-20140328918-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP CYP3A4 3047/4885MAPK1 4795/4885MEN1 817/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CYP3A4 4765/4885MAPK1 4572/4885MEN1 1397/4885
US-20150141638-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY DDOST, STT3B, STT3A CYP3A4 3070/4885MAPK1 4700/4885MEN1 4477/4885
US-20120213854-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS HLA-DRB1, TSG101, IAPP CYP3A4 3047/4885MAPK1 4795/4885MEN1 817/4885
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CYP3A4 3210/4885MAPK1 4131/4885MEN1 2879/4885
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CYP3A4 3210/4885MAPK1 4131/4885MEN1 2879/4885
US-20100285144-A1 POLYMER-EPOTHILONE CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE EPOR, TTPA, PDS5A CYP3A4 3769/4885MAPK1 4756/4885MEN1 1214/4885

“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.