SCHEMBL537637

SCHEMBL537637

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 5/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP2D6 P10635 1/20 0.31
LMNA P02545 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
SCHEMBL11495959 0.95 TSHR (0.35) KMT2AGAAMEN1TSHRHTT
SCHEMBL9051338 0.91 TSHR (0.35) KMT2AGAAMEN1TSHRHTT
SCHEMBL9682713 0.91 GAA (0.38) KMT2AGAAMEN1TSHRHTT
SCHEMBL13875068 0.90 GAA (0.43) KMT2AGAAMEN1TSHRHTT
Suxemerid SCHEMBL2779070 0.89 SMN1; SMN2 (0.39) KMT2AGAAMEN1TSHRHTT
SCHEMBL12934427 0.88 KMT2A (0.32) KMT2AGAAMEN1TSHRHTT
SCHEMBL17914693 0.87 MEN1 (0.31) KMT2AGAAMEN1SMN1; SMN2TP53
SCHEMBL10156172 0.87 CHRM2 (0.37) KMT2AGAAMEN1TSHRHTT
SCHEMBL6714702 0.86 TSHR (0.37) KMT2AGAAMEN1TSHRHTT
SCHEMBL9355720 0.85 KMT2A (0.31) KMT2AGAAMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240072425-A1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-11834599-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-20230383186-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-30 US disclosed
US-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
US-20230323209-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
US-20230323207-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2023-10-12 US disclosed
US-11781069-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-10 US disclosed
US-20080051306-A1 Lubricant composition CIBA CORPORATION 2008-02-28 US disclosed
US-7332105-B2 Synergistic UV absorber combination CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-02-19 US disclosed
US-20080033080-A1 Stabilization of Polyether Polyol, Polyester Polyol or Polyurethane Compositions BASF SE (DE) 2008-02-07 US disclosed
WO-2007101549-A1 STABILIZATION OF IODINE-CONTAINING BIOCIDES BY MEANS OF SPECIAL AZOLE COMPOUNDS LANXESS DEUTSCHLAND GMBH (DE) 2007-09-13 WO disclosed
WO-2007028527-A1 STABILIZATION OF IODINE BIOCIDES LANXESS DEUTSCHLAND GMBH (DE) 2007-03-15 WO disclosed
US-5514767-A Hot-melt polycondensation method for manufacturing a polycarbonate composition GENERAL ELECTRIC COMPANY (US) 1996-05-07 US disclosed
US-4293468-A Malonate derivatives as stabilizers for organic materials CIBA-GEIGY AG (CH) 1981-10-06 US disclosed
US-4238613-A IMPARTING PHOTOSTABILITY AND OXIDATION AND HEAT RESISTANCE TO PLASTICS CIBA-GEIGY CORPORATION (US) 1980-12-09 US disclosed
US-4198334-A HEAT, LIGHT, OXIDATION RESISTANCE, PLASTICS CIBA-GEIGY CORPORATION (US) 1980-04-15 US disclosed
US-4154722-A PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1979-05-15 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-20240072425-A1 AROMATIC ISOTHIOCYANATES TRPA1, TRPC1, CRY1 KMT2A 903/4885GAA 4417/4885MEN1 580/4885

“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.