SCHEMBL4530963

SCHEMBL4530963

C=CCCC(C(=O)OCC)P(=O)(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 2/20 0.33
NPSR1 Q6W5P4 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
MAPT P10636 2/20 0.31
PLA2G2C Q5R387 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL30757911 0.83 ALOX15 (0.41) POLBCYP2C9CYP2C19CYP2D6TSHR
SCHEMBL1051880 0.81 POLB (0.53) POLBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL9380986 0.80 POLB (0.41) POLBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL10847001 0.80 POLB (0.41) POLBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL25277788 0.78 POLB (0.40) POLBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL3675752 0.78 POLB (0.43) POLBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL1052265 0.77 POLB (0.40) POLBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL8532180 0.77 POLB (0.40) POLBCYP2C9CYP2C19CYP2D6ALDH1A1
SCHEMBL9000615 0.77 POLB (0.42) POLBLPAR2LPAR3
SCHEMBL8616279 0.77 POLB (0.39) POLBCYP2C9CYP2C19CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed
EP-3533797-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-09-04 EP disclosed
EP-2540728-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-04-10 EP disclosed
US-20170209452-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-07-27 US disclosed
US-9655900-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-23 US disclosed
US-20160310494-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-10-27 US disclosed
US-9388195-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-12 US disclosed
US-20150158882-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2015-06-11 US disclosed
US-8933069-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 US disclosed
US-8921354-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 US disclosed
US-20090124661-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-05-14 US disclosed
US-7470664-B2 HCV NS3 protease inhibitors MERCK & CO., INC. (US) 2008-12-30 US disclosed
US-7470664-B2 HCV NS3 protease inhibitors MERCK & CO., INC. (US) 2008-12-30 US disclosed
US-7470664-B2 HCV NS3 protease inhibitors MERCK & CO., INC. (US) 2008-12-30 US disclosed
EP-1910404-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 US disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 US disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 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 (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-20070027071-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC POLB 2914/4885CYP2C9 374/4885CYP2C19 541/4885
US-20160310494-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT POLB 2206/4885CYP2C9 58/4885CYP2C19 40/4885
US-20150158882-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT POLB 2206/4885CYP2C9 58/4885CYP2C19 40/4885
US-20090124661-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC POLB 2914/4885CYP2C9 374/4885CYP2C19 541/4885
US-20170209452-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT POLB 2206/4885CYP2C9 58/4885CYP2C19 40/4885

“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.