SCHEMBL4418314

SCHEMBL4418314

CCOC(=O)CC(=O)C(CC)CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
MGAM O43451 1/20 0.61
SI P14410 1/20 0.61
MGAM2 Q2M2H8 1/20 0.61
ALDH1A1 P00352 4/20 0.44
TRPA1 O75762 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL28149561 0.86 MGAM (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12513505 0.85 CA2 (0.59) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5074737 0.83 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21647241 0.82 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL22169089 0.81 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1603754 0.80 CYP1A2 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17720258 0.80 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4467943 0.80 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2003743 0.80 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL356490 0.80 GAA (0.94) GAAMGAMSIMGAM2ALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965381-B A kind of titanium tetrachloride initiator system altogether and the method being used for preparing high-activity polyisobutylene thereof 北京化工大学 2016-08-24 CN claimed
CN-103965381-A Titanium tetrachloride co-initiation system, and method for preparing high-reaction-activity polyisobutylene by using it UNIV BEIJING CHEMICAL 2014-08-06 CN claimed
CN-1176123-C Initiation system for preparing polyisobutene with reactive activity 北京化工大学 2004-11-17 CN claimed
CN-1323841-A Initiation system for preparing polyisobutene with reactive activity UNIV BEIJING CHEMICAL ENG (CN) 2001-11-28 CN claimed
US-20240132506-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2024-04-25 US disclosed
US-11845754-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity Kronos Bio, Inc. (US) 2023-12-19 US disclosed
CN-112996790-B Compounds, compositions and methods for modulating CDK9 activity 克洛诺斯生物公司 2023-11-03 CN disclosed
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2022-01-06 US disclosed
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2022-01-06 US disclosed
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity Kronos Bio, Inc. (US) 2021-10-26 US disclosed
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity Kronos Bio, Inc. (US) 2021-10-26 US disclosed
EP-3873911-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY Kronos Bio, Inc. (US) 2021-09-08 EP disclosed
WO-2009068512-A1 2 -AMINO-PYRIMIDINE DERIVATIVES AS HISTAMINE H4 ANTAGONISTS PALAU PHARMA, S. A. (ES) 2009-06-04 WO disclosed
US-7217730-B2 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2007-05-15 US disclosed
CN-1655778-A Methods of treating hepatitis C virus infection using pyranoindole derivatives WYETH CORP (US) 2005-08-17 CN disclosed
EP-1509225-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2005-03-02 EP disclosed
CN-1176123-C Initiation system for preparing polyisobutene with reactive activity 北京化工大学 2004-11-17 CN disclosed
US-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus WYETH (US) 2004-04-29 US disclosed
WO-2003099275-A1 METHOD FOR THE USE OF PYRANOINDOLE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2003-12-04 WO disclosed
CN-1323841-A Initiation system for preparing polyisobutene with reactive activity UNIV BEIJING CHEMICAL ENG (CN) 2001-11-28 CN 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 (5 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-20040082643-A1 Method for the use of pyranoindole derivatives to treat infection with Hepatitis C virus HAVCR2, HCCS, ZC3HAV1 GAA 4301/4885MGAM 4346/4885SI 2467/4885
US-20240132506-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 GAA 2783/4885MGAM 3920/4885SI 2829/4885
US-11845754-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 GAA 3387/4885MGAM 4173/4885SI 3486/4885
US-20220002305-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CDK9 ACTIVITY CDK9, CDK19, CDK7 GAA 2783/4885MGAM 3920/4885SI 2829/4885
US-11155560-B2 Substituted pyrazolo[1,5-a]pyrimidines for modulating CDK9 activity CDK9, CDK19, CDK7 GAA 3387/4885MGAM 4173/4885SI 3486/4885

“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.