SCHEMBL422175

SCHEMBL422175

COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC3OC5COC(C)OC5C(O)C3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(CO)c1O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.89
GAA P10253 5/20 0.89
SMN1; SMN2 Q16637 5/20 0.89
TOP2A P11388 5/20 0.89
TOP2B Q02880 4/20 0.89
LMNA P02545 3/20 0.89
MEN1 O00255 2/20 0.89
KMT2A Q03164 2/20 0.89
NCOA3 Q9Y6Q9 2/20 0.89
HSD17B10 Q99714 2/20 0.89
HIF1A Q16665 2/20 0.89
CYP1A2 P05177 1/20 0.89
CYP2D6 P10635 1/20 0.89
CYP2C9 P11712 1/20 0.89
CYP2C19 P33261 1/20 0.89
NCOA1 Q15788 1/20 0.89
SLCO1B3 Q9NPD5 1/20 0.89
ATM Q13315 1/20 0.68
USP2 O75604 1/20 0.68
ABCC3 O15438 1/20 0.68

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
SCHEMBL13818627 1.00 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL15472841 1.00 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL19959379 1.00 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL10061877 1.00 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL17816434 1.00 CYP3A4 (0.89) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL94972 0.94 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL15060571 0.94 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL12308351 0.94 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
SCHEMBL16606226 0.94 CYP3A4 (0.81) CYP3A4GAASMN1; SMN2TOP2ATOP2B
Etoposide SCHEMBL24482748 0.94 CYP3A4 (1.00) CYP3A4GAASMN1; SMN2TOP2ATOP2B

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-20180008719-A1 POLYMERIC DRUG CONJUGATES WITH TETHER GROUPS FOR CONTROLLED DRUG DELIVERY NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-01-11 US disclosed
US-9610360-B2 Polymer drug conjugates with tether groups for controlled drug delivery CERULIEAN PHARMA INC. (US) 2017-04-04 US disclosed
US-20160375145-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY ANGIOCHEM INC (CA) 2016-12-29 US disclosed
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2016-03-03 US disclosed
US-20150038429-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY ANGIOCHEM INC. (CA) 2015-02-05 US disclosed
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2015-01-01 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-8828925-B2 Etoposide and doxorubicin conjugates for drug delivery ANGIOCHEM INC. (CA) 2014-09-09 US disclosed
US-20130288986-A1 POLYMER DRUG CONJUGATES WITH TETHER GROUPS FOR CONTROLLED DRUG DELIVERY INSERT THERAPEUTICS, INC 2013-10-31 US disclosed
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-01 US disclosed
US-8497365-B2 Cyclodextrin-based polymers for therapeutics delivery INSERT THERAPEUTICS, INC. 2013-07-30 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-20120135914-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY ANGIOCHEM INC. (CA) 2012-05-31 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-20110282047-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. (US) 2011-11-17 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 (11 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-20160375145-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY GLS, AQP4, ABCB1 CYP3A4 297/4885GAA 1143/4885SMN1; SMN2 4463/4885
US-20130288986-A1 POLYMER DRUG CONJUGATES WITH TETHER GROUPS FOR CONTROLLED DRUG DELIVERY CD44, MSN, ABCB1 CYP3A4 1063/4885GAA 533/4885SMN1; SMN2 1856/4885
US-20120135914-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY GLS, AQP4, ABCB1 CYP3A4 297/4885GAA 1143/4885SMN1; SMN2 4463/4885
US-20180008719-A1 POLYMERIC DRUG CONJUGATES WITH TETHER GROUPS FOR CONTROLLED DRUG DELIVERY CD44, MSN, ABCB1 CYP3A4 1419/4885GAA 581/4885SMN1; SMN2 1975/4885
US-20130196906-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CYP3A4 3210/4885GAA 66/4885SMN1; SMN2 422/4885
US-20140255374-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CYP3A4 4765/4885GAA 936/4885SMN1; SMN2 1548/4885
US-20120064107-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CYP3A4 4765/4885GAA 936/4885SMN1; SMN2 1548/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 CYP3A4 4765/4885GAA 936/4885SMN1; SMN2 1548/4885
US-20150005230-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CYP3A4 3210/4885GAA 66/4885SMN1; SMN2 422/4885
US-20160058874-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CDR2, DDOST, GALC CYP3A4 3210/4885GAA 66/4885SMN1; SMN2 422/4885
US-20150038429-A1 ETOPOSIDE AND DOXORUBICIN CONJUGATES FOR DRUG DELIVERY GLS, AQP4, ABCB1 CYP3A4 297/4885GAA 1143/4885SMN1; SMN2 4463/4885

“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.