SCHEMBL6583399

SCHEMBL6583399

CCCC(C)(C#N)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL30449102 0.81
SCHEMBL14388008 0.79
SCHEMBL22927907 0.75
SCHEMBL19300330 0.72
SCHEMBL25867936 0.72
SCHEMBL10174927 0.72 NAALAD2 (0.37) TSHR
SCHEMBL18502523 0.72 ALDH1A1 (0.35)
SCHEMBL25867934 0.71
SCHEMBL24490987 0.70 MCL1 (0.32)
SCHEMBL14324190 0.70 ALOX15 (0.46) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414786-A1 PROCESS FOR OBTAINING N-MONOSUBSTITUTED AMIDES Millennium Specialty Chemicals, Inc. (US) 2004-05-06 EP claimed
WO-2003011816-A1 PROCESS FOR OBTAINING N-MONOSUBSTITUTED AMIDES MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2003-02-13 WO claimed
US-11801305-B2 Glycotargeting therapeutics ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2023-10-31 US disclosed
US-11793882-B2 Glycotargeting therapeutics ÉCOLE POLYTECHNIQUE FÉDÉRALE DE LAUSANNE (EPFL) (CH) 2023-10-24 US disclosed
US-20230231142-A1 FUNCTIONALIZED CROSS-LINKED POLYMER NETWORKS, METHODS OF MAKING SAME, AND USES THEREOF CORNELL UNIVERSITY 2023-07-20 US disclosed
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 US disclosed
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 US disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 US disclosed
EP-1414786-A1 PROCESS FOR OBTAINING N-MONOSUBSTITUTED AMIDES Millennium Specialty Chemicals, Inc. (US) 2004-05-06 EP disclosed
WO-2003011816-A1 PROCESS FOR OBTAINING N-MONOSUBSTITUTED AMIDES MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2003-02-13 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 (4 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-11801305-B2 Glycotargeting therapeutics LGALS3BP, LGALS1, CD47 TSHR 1489/4885
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES CBR3, CYP3A7, PRDX3 TSHR 238/4885
US-11793882-B2 Glycotargeting therapeutics CD74, LGALS1, LY96 TSHR 1921/4885
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES CYP4X1, PRDX4, PRDX5 TSHR 277/4885

“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.