SCHEMBL10028136

SCHEMBL10028136

CC(C)(C)c1cc2ccc3oc4cc(C(C)(C)C)cc5ccc6oc(c1)c2c3-c6c54

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33
ADAM17 P78536 1/20 0.31
PON1 P27169 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL10062040 0.85
SCHEMBL10028097 0.82 NPC1 (0.40) NPC1RAB9AGFER
SCHEMBL10028137 0.81
SCHEMBL10028099 0.78 NPC1 (0.33) NPC1RAB9AGFER
SCHEMBL6354584 0.75 GABRA1 (0.43) NPC1RAB9AGABRA1GABRB2
SCHEMBL10028240 0.75 ALDH1A1 (0.41) NPC1RAB9APON1
SCHEMBL10028072 0.71 LMNA (0.32)
SCHEMBL10028228 0.71 CA2 (0.38) NPC1RAB9AGFER
SCHEMBL10028076 0.70 NPC1 (0.33) NPC1RAB9A
SCHEMBL15945816 0.70 PON1 (0.37) NPC1RAB9AGFERADAM17PON1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114531-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2010-01-21 US disclosed
WO-2008011964-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2008-01-31 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 (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-20100013381-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SOD1, SLC40A1 NPC1 1014/4885RAB9A 710/4885GFER 2732/4885

“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.