SCHEMBL236874

SCHEMBL236874

CC(C)COC([O])C(C)C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 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
SCHEMBL1263275 0.81
SCHEMBL3191827 0.73
SCHEMBL10530505 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9455726 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL16786171 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL12013698 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL12013151 0.69 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8469500 0.69
SCHEMBL8005450 0.69 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL9773530 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670350-B2 Polymer dispersants BASF SE (DE) 2017-06-06 US disclosed
US-9586942-B2 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
US-9586945-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-9404002-B2 Molecular precursor compounds for indium gallium zinc oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-08-02 US disclosed
US-9404009-B2 Polymer dispersants BASF SE (DE) 2016-08-02 US disclosed
US-9365512-B2 Isoindoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-14 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US disclosed
US-20160102198-A1 NOVEL POLYMER DISPERSANTS BASF SE (DE) 2016-04-14 US disclosed
US-9238619-B2 Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-01-19 US disclosed
US-20110263603-A1 Imine Compounds for Combating Invertebrate Pests BASF SE (DE) 2011-10-27 US disclosed
WO-2011113884-A1 N-CARBOMETHOXY-N-METHOXY-(2-CHLOROMETHYL)-ANILINES, THEIR PREPARATION AND THEIR USE AS PRECURSORS FOR PREPARING 2-(PYRAZOL-3'-YLOXYMETHYLENE)-ANILIDES BASF SE (DE) 2011-09-22 WO disclosed
US-20110177944-A1 Synergistic Fungicidal Mixtures BASF SE (DE) 2011-07-21 US disclosed
US-7977269-B2 Diimine metal complexes, methods of synthesis, and methods of using in oligomerization and polymerization CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2011-07-12 US disclosed
WO-2011026937-A1 PROCESS FOR PREPARING 1-PHENYLPYRAZOLES BASF SE (DE) 2011-03-10 WO disclosed
EP-2289901-A1 Olefin oligomerization catalysts and methods of using same Chevron Phillips Chemical Company LP (US) 2011-03-02 EP disclosed
EP-2287172-A1 Olefin oligomerization catalysts and methods of using same Chevron Phillips Chemical Company LP (US) 2011-02-23 EP disclosed
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-7378537-B2 Olefin oligomerization catalysts and methods of using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-05-27 US disclosed
US-20080027188-A1 OLEFIN OLIGOMERIZATION CATALYSTS AND METHODS OF USING SAME CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-01-31 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 (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-20110263603-A1 Imine Compounds for Combating Invertebrate Pests INMT, PNMT, PIR ALDH1A1 2587/4885TSHR 4555/4885
US-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 ALDH1A1 2336/4885TSHR 229/4885
US-20110177944-A1 Synergistic Fungicidal Mixtures CYP3A5, CYP51A1, CYP3A7 ALDH1A1 573/4885TSHR 4100/4885
US-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 ALDH1A1 2646/4885TSHR 922/4885

“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.