SCHEMBL554377

SCHEMBL554377

CCCC(C)c1nc(C(C)(C)CC)c(C(C)(C)CCC)[nH]1.CCCCC(C)(C)c1[nH]c(C(C)CCC)nc1C(C)(C)CC.CCCCC(C)(C)c1[nH]c(C(C)CCC)nc1C(C)(C)CC.CCCCC(C)(C)c1nc(C(C)CCC)[nH]c1C(C)(C)CCC.CCCCCC(C)(C)c1[nH]c(C(C)CCC)nc1C(C)(C)CC.CCCCCC(C)(C)c1[nH]c(C(C)CCC)nc1C(C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL2464177 0.95 GPR84 (0.36) GPR84
SCHEMBL2469398 0.94 GPR84 (0.34) GPR84
SCHEMBL2467020 0.94 GPR84 (0.34) GPR84
SCHEMBL552678 0.94 GPR84 (0.36) GPR84
SCHEMBL553365 0.94 GPR84 (0.34) GPR84
SCHEMBL554278 0.94 GPR84 (0.36) GPR84
SCHEMBL552863 0.93
SCHEMBL553371 0.91 GPR84 (0.30) GPR84
SCHEMBL553174 0.91 GPR84 (0.30) GPR84
SCHEMBL2470200 0.87 GPR84 (0.32) GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703103-B2 Volatile imidazoles and group 2 imidazole based metal precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-04-22 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

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-20120035351-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors CACNG5, BST2, API5 GPR84 3428/4885

“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.