SCHEMBL10034352

SCHEMBL10034352

CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4cc(-c6cc7ccccc7c7ccccc67)ccc4-5)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.37
CYP11B1 P15538 1/20 0.34
GPR84 Q9NQS5 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MPI P34949 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10034349 1.00 PDK2 (0.37) PDK2CYP11B1GPR84KDM4EMEN1
SCHEMBL20102231 0.98 PDK2 (0.37) PDK2CYP11B1GPR84KDM4EMEN1
SCHEMBL10034404 0.98 PDK2 (0.37) PDK2CYP11B1GPR84KDM4EMEN1
SCHEMBL10034410 0.98 PDK2 (0.37) PDK2CYP11B1GPR84KDM4EMEN1
SCHEMBL10034346 0.98 PDK2 (0.34) PDK2CYP11B1GPR84ALDH1A1HPGD
SCHEMBL23448041 0.97 PDK2 (0.34) PDK2CYP11B1GPR84KDM4EMEN1
SCHEMBL23448029 0.97 PDK2 (0.34) PDK2CYP11B1GPR84KDM4EMEN1
SCHEMBL10034318 0.96 CYP11B1 (0.36) PDK2CYP11B1GPR84KDM4EMEN1
SCHEMBL10034328 0.96 CYP11B1 (0.36) PDK2CYP11B1GPR84KDM4EMEN1
SCHEMBL15294253 0.96 PDK2 (0.33) PDK2CYP11B1GPR84

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-8980442-B2 Aromatic amine derivative and organic electroluminescent element using same MITSUI CHEMICALS, INC. (JP) 2015-03-17 US disclosed
US-8980442-B2 Aromatic amine derivative and organic electroluminescent element using same MITSUI CHEMICALS, INC. (JP) 2015-03-17 US disclosed
US-20120012832-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME MITSUI CHEMICALS, INC. (JP) 2012-01-19 US disclosed
US-20120012832-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME MITSUI CHEMICALS, INC. (JP) 2012-01-19 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-20120012832-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME MAOA, MAOB, TYR PDK2 1940/4885CYP11B1 1963/4885GPR84 3453/4885

“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.