SCHEMBL10028176

SCHEMBL10028176

CC1(C)c2ccc3cc(N(c4ccccc4)c4cccc5ccccc45)cc4c3c2-c2c(ccc3cc(N(c5ccccc5)c5cccc6ccccc56)cc1c23)C4(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL12387549 0.90 SIGMAR1 (0.38) SIGMAR1L3MBTL1MEN1KMT2ACYP1A2
SCHEMBL10028173 0.87 ALDH1A1 (0.32) L3MBTL1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL10028179 0.85 SIGMAR1 (0.33) SIGMAR1
SCHEMBL13888830 0.85 CYP1A2 (0.33) SIGMAR1MEN1KMT2ACYP1A2KDM4E
SCHEMBL15316878 0.84 SIGMAR1 (0.34) SIGMAR1CYP1A2
SCHEMBL12387539 0.84 SIGMAR1 (0.33) SIGMAR1L3MBTL1MEN1KMT2A
SCHEMBL17301389 0.83 SIGMAR1 (0.36) SIGMAR1CYP1A2THRB
SCHEMBL13888793 0.83 SIGMAR1 (0.34) SIGMAR1
SCHEMBL13888802 0.82 SIGMAR1 (0.33) SIGMAR1
SCHEMBL13304324 0.82 SIGMAR1 (0.43) SIGMAR1L3MBTL1MEN1KMT2ACYP1A2

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 5 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-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
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 SIGMAR1 1186/4885L3MBTL1 2470/4885MEN1 1130/4885

“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.

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