SCHEMBL3696247

SCHEMBL3696247

CCCc1nc(C(C)C)[nH]c1CCC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3707236 0.90 PDK2 (0.30) PDK2
SCHEMBL11461888 0.84
SCHEMBL3783399 0.80 PDK2 (0.38) PDK2KDM4ELMNAHSD17B10
SCHEMBL3697296 0.75 SMPD3 (0.36) KDM4ELMNAHSD17B10
SCHEMBL11461887 0.73
SCHEMBL3701880 0.72 GLA (0.39) PDK2KDM4E
SCHEMBL3704415 0.72 PDK2 (0.37) PDK2KDM4E
SCHEMBL28285520 0.71 ADORA1 (0.39) PDK2KDM4E
SCHEMBL4351362 0.69 KDM4E (0.31) KDM4ELMNAHSD17B10
SCHEMBL3779661 0.68 L3MBTL1 (0.33) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018387-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-04-28 US disclosed
US-8680289-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-03-25 US disclosed
EP-2580223-A1 COMPLEXES OF IMIDAZOLE LIGANDS Air Products and Chemicals, Inc. (US) 2013-04-17 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
WO-2011156699-A1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-12-15 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 (2 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 PDK2 3540/4885KDM4E 2146/4885LMNA 2718/4885
US-20120121806-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM PDK2 3540/4885KDM4E 2146/4885LMNA 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.