SCHEMBL13789735

SCHEMBL13789735

CC1(C)c2cc3c(cc2-c2c1cc(-c1ccc(-c4cn5ccccc5n4)cc1)c1ccccc21)C(C)(C)c1cc(-c2ccc(-c4cn5ccccc5n4)cc2)c2ccccc2c1-3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.50
▸ NPC1 O15118 11/20 0.50
▸ KDM4E B2RXH2 11/20 0.50
▸ PKM P14618 5/20 0.50
▸ POLB P06746 3/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ GFER P55789 3/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MIF P14174 1/20 0.47
▸ HPGD P15428 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NFKB1 P19838 1/20 0.46

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
SCHEMBL17862273 0.88 RAB9A (0.47) RAB9ANPC1KDM4EPKMPOLB
SCHEMBL13789804 0.87 SCD (0.47) RAB9ANPC1KDM4EPKMALDH1A1
SCHEMBL355104 0.83 RAB9A (0.36) RAB9ANPC1KDM4EPKMPOLB
SCHEMBL13820934 0.82 RAB9A (0.46) RAB9ANPC1KDM4EPKMPOLB
SCHEMBL17862992 0.82 RAB9A (0.48) RAB9ANPC1KDM4EPKMPOLB
SCHEMBL20737199 0.81 RAB9A (0.45) RAB9ANPC1KDM4EPKMPOLB
SCHEMBL13820901 0.81 RAB9A (0.45) RAB9ANPC1KDM4EPKMPOLB
SCHEMBL13820895 0.81 RAB9A (0.45) RAB9ANPC1KDM4EPKMPOLB
SCHEMBL13820937 0.81 RAB9A (0.45) RAB9ANPC1KDM4EPKMPOLB
SCHEMBL13820904 0.80 RAB9A (0.44) RAB9ANPC1KDM4EPKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932732-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-01-13 — — US disclosed
US-8932732-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-01-13 — — US disclosed
US-20090184313-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-23 — — US disclosed
US-20090184313-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-07-23 — — 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-20090184313-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO4C1, SLCO2A1, SLCO1A2 RAB9A 1393/4885NPC1 592/4885KDM4E 2218/4885

“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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