SCHEMBL851931

SCHEMBL851931

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.42
HPGD P15428 1/20 0.41
THRB P10828 3/20 0.38
ALDH1A1 P00352 6/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL18181679 1.00 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL3966436 0.83 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL14775229 0.82 TSHR (0.33) TSHRHPGDALDH1A1
SCHEMBL3831873 0.80 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL4772452 0.80 TSHR (0.51) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL11806261 0.80
SCHEMBL8461805 0.80
SCHEMBL12314345 0.80
SCHEMBL7194659 0.80 TSHR (0.41) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1322363 0.79 TSHR (0.44) TSHRHPGDTHRBALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016179558-A1 K-RAS MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-10 WO disclosed
WO-2015196144-A2 ANDROGEN RECEPTOR ANTAGONISTS ENGLAND PAMELA M (US) 2015-12-23 WO disclosed
US-20150175657-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2015-06-25 US disclosed
US-8722828-B2 Process for continuous production of cycloolefin resins, and sheets or films thereof, using ring opening metathesis polymerization ZEON CORPORATION (JP) 2014-05-13 US disclosed
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-23 US disclosed
US-8445498-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-21 US disclosed
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-8329901-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2012-12-11 US disclosed
US-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-10-11 US disclosed
US-20120190614-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-07-26 US disclosed
EP-1535941-A1 PROCESSES FOR PRODUCING THERMOPLASTIC RESINS, CROSSLINKED RESINS AND CROSSLINKED RESIN COMPOSITE MATERIALS ZEON CORPORATION (JP) 2005-06-01 EP disclosed
EP-1522501-A2 Oriented cook-in film with good interply adhesion Cryovac, Inc. (US) 2005-04-13 EP disclosed
US-6551674-B2 Multilayer film CRYOVAC, INC. 2003-04-22 US disclosed
US-20020015810-A1 Oriented cook-in film with good interply adhesion PIPER GRAHAM RICHARD (US) 2002-02-07 US disclosed
EP-1173329-A1 ORIENTED COOK-IN FILM WITH GOOD INTERPLY ADHESION Cryovac, Inc. (US) 2002-01-23 EP disclosed
US-6294264-B1 ATACTIC OR SYNDIOTACTIC PROPYLENE COPOLYMER; AND A SECOND LAYER COMPRISING A PROPYLENE/ALPHA-OLEFIN COPOLYMER; VICAT SOFTENING POINT OF AT LEAST 50 DEGREES C. CRYOVAC, INC. 2001-09-25 US disclosed
WO-2000058093-A1 ORIENTED COOK-IN FILM WITH GOOD INTERPLY ADHESION CRYOVAC, INC. (US) 2000-10-05 WO disclosed
US-5280057-A Polymer stabilizer CIBA-GEIGY CORPORATION (US) 1994-01-18 US disclosed
EP-0572569-A1 WATER SOLUBLE ALCOHOL BASED NONWOVEN BINDER COMPOSITION. FULLER H B LICENSING FINANC (US) 1993-12-08 EP disclosed
WO-1992015742-A2 WATER SOLUBLE ALCOHOL BASED NONWOVEN BINDER COMPOSITION H.B. FULLER LICENSING & FINANCING INC. (US) 1992-09-17 WO 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-20120190614-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC TSHR 4633/4885HPGD 2115/4885THRB 4623/4885
US-20130131105-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC TSHR 4633/4885HPGD 2115/4885THRB 4623/4885
US-20150175657-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC TSHR 4633/4885HPGD 2115/4885THRB 4623/4885
US-20120258967-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B TSHR 4020/4885HPGD 3481/4885THRB 2282/4885
US-20130065899-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885HPGD 1580/4885THRB 3244/4885

“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.