SCHEMBL553239

SCHEMBL553239

CC(C)c1nc(C(C)C)c(C(C)C(C)C)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL552604 0.91 SMPD3 (0.33)
SCHEMBL553988 0.84 SMPD3 (0.39) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL553498 0.83 KDM4E (0.32) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL554224 0.83 SMPD3 (0.39)
SCHEMBL554363 0.80 GPR84 (0.33)
SCHEMBL554214 0.75 KDM4E (0.30) KDM4EHSD17B10LMNA
SCHEMBL553205 0.74 SMPD3 (0.33)
SCHEMBL552566 0.74
SCHEMBL552692 0.72
SCHEMBL553991 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102344413-B Volatile imidazoles and group 2 imidazole based metal precursors AIR PROD & CHEM 2015-07-22 CN disclosed
US-9018387-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-04-28 US disclosed
US-20140242795-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-08-28 US disclosed
US-8703103-B2 Volatile imidazoles and group 2 imidazole based metal precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-04-22 US disclosed
US-8680289-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-03-25 US disclosed
US-20130260025-A1 Group 2 Imidazolate Formulations for Direct Liquid Injection VERSUM MATERIALS US, LLC 2013-10-03 US disclosed
EP-2644284-A1 Group 2 Imidazolate Formulations for Direct Liquid Injection Air Products and Chemicals, Inc. (US) 2013-10-02 EP disclosed
US-20130078391-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-03-28 US disclosed
US-20120121806-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-05-17 US disclosed
US-20120035351-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-02-09 US disclosed
EP-2371821-A1 Volatile imidazoles and group 2 imidazole based metal precursors Air Products and Chemicals, Inc. (US) 2011-10-05 EP 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 (3 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-20130078391-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM KDM4E 2146/4885HSD17B10 4568/4885LMNA 2718/4885
US-20120035351-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors CACNG5, BST2, API5 KDM4E 1388/4885HSD17B10 4813/4885LMNA 4320/4885
US-20120121806-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM KDM4E 2146/4885HSD17B10 4568/4885LMNA 2718/4885

“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.