SCHEMBL10156072

SCHEMBL10156072

CN1C(C)(C)CC(OC(=O)C(=Cc2ccccc2)C(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 1/20 0.38
HTT P42858 2/20 0.38
AKR1C3 P42330 1/20 0.36
NR1H4 Q96RI1 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
SCHEMBL14303710 0.89 ALDH1A1 (0.43) KMT2AMEN1TSHRGAALMNA
SCHEMBL12646437 0.89 KMT2A (0.34) KMT2AMEN1TSHRCYP2D6GAA
SCHEMBL78186 0.87 HTT (0.40) KMT2AMEN1GAAHPGDMAPT
SCHEMBL12352277 0.86 KMT2A (0.35) KMT2AMEN1TSHRGAALMNA
SCHEMBL13531668 0.85 KMT2A (0.48) KMT2AMEN1TSHRCYP2D6GAA
SCHEMBL24453525 0.84 HTT (0.38) KMT2AMEN1GAALMNAHPGD
SCHEMBL7193144 0.84 HTT (0.42) KMT2AGAALMNAHPGDMAPT
SCHEMBL5139605 0.84 NR1H4 (0.43) KMT2AMEN1LMNAHPGDMAPT
SCHEMBL13148281 0.83 KMT2A (0.46) KMT2AMEN1TSHRGAALMNA
SCHEMBL14001979 0.82 ALDH1A1 (0.38) KMT2AMEN1TSHRGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8277695-B2 Reversibly thermochromic compositions BASF SE (DE) 2012-10-02 US disclosed
US-8119778-B2 Reversibly thermochromic compositions BASF SE (DE) 2012-02-21 US disclosed
US-20110180767-A1 Reversibly thermochromic compositions CIBA CORPORATION 2011-07-28 US disclosed
US-20110092632-A1 POROUS INORGANIC MATERIALS CONTAINING POLYMER ADDITIVES BRAND FABIEN JEAN 2011-04-21 US disclosed
US-7820744-B2 Stabilizer mixtures CIBA SPECIALTY CHEMICALS CORP. (US) 2010-10-26 US disclosed
US-7687554-B2 Water based concentrated product forms of light stabilizers made by a heterophase polymerization technique CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-03-30 US disclosed
US-20100048773-A1 AGRICULTURAL ARTICLES BONORA MICHELA 2010-02-25 US disclosed
US-20100048774-A1 STABILIZER MIXTURES GUGUMUS FRANCOIS 2010-02-25 US disclosed
US-7652081-B2 Stabilizer mixtures CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-01-26 US disclosed
US-7628936-B2 Mixture of steric hindred amine compound with magnesium and zinc salt; photostability; heat and oxidation resistance; for polymers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-12-08 US disclosed
US-7595008-B2 Mixture containing steric hindred amine compound with zinc and magnesium salt; photostability; heat and oxidation resistance; for polymers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-09-29 US disclosed
US-20090111917-A1 Stabilized articles BONORA MICHELA 2009-04-30 US disclosed
US-20090105379-A1 Stabilizer mixtures GUGUMUS FRANCOIS 2009-04-23 US disclosed
US-20090093572-A1 Stabilizer mixtures GUGUMUS FRANCOIS 2009-04-09 US disclosed
US-20080058459-A1 Porous Inorganic Materials Containing Polymer Additives CIBA CORP. 2008-03-06 US disclosed
US-20070135537-A1 Agricultural articles BONORA MICHAEL 2007-06-14 US disclosed
US-4238613-A IMPARTING PHOTOSTABILITY AND OXIDATION AND HEAT RESISTANCE TO PLASTICS CIBA-GEIGY CORPORATION (US) 1980-12-09 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 (1 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-20110180767-A1 Reversibly thermochromic compositions C1R, C3AR1, C9 KMT2A 3880/4885MEN1 1208/4885TSHR 301/4885

“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.