SCHEMBL27404232

SCHEMBL27404232

CC1=C(C)c2c(C)ccnc2C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.39
NOS3 P29474 3/20 0.39
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 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
SCHEMBL26267058 0.71 NOS2 (0.39) NOS2NOS3CCR1CCR5CCR8
SCHEMBL26267082 0.69 NOS3 (0.34) NOS2NOS3CCR1CCR5CCR8
SCHEMBL26266978 0.69 NOS3 (0.42) NOS2NOS3CCR1CCR5CCR8
SCHEMBL1869137 0.69 METAP2 (0.40) NOS2NOS3
SCHEMBL26267063 0.68 NOS3 (0.37) NOS2NOS3CCR1CCR5CCR8
SCHEMBL26266981 0.68 NOS3 (0.37) NOS2NOS3CCR1CCR5CCR8
SCHEMBL30613656 0.68 TDP2 (0.37) NOS2NOS3CCR1CCR5CCR8
SCHEMBL26135340 0.68 TDP2 (0.37) NOS2NOS3CCR1CCR5CCR8
SCHEMBL26266985 0.68 NOS3 (0.37) NOS2NOS3CCR1CCR5CCR8
SCHEMBL26266749 0.68 NOS3 (0.37) NOS2NOS3CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-06-25 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-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 NOS2 2103/4885NOS3 2171/4885CCR1 2833/4885

“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.