SCHEMBL10034381

SCHEMBL10034381

CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4cc(-c6cc7ccccc7c7ccccc67)ccc4-5)c4ccc5ccccc5c4)cc3)cc21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.32
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CYP11B1 P15538 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
SCHEMBL10034346 0.96 PDK2 (0.34) PDK2GPR84CYP11B1
SCHEMBL20102230 0.94 LPL (0.34) PDK2LPLLIPGGPR84CYP11B1
SCHEMBL20102224 0.94 LPL (0.34) PDK2LPLLIPGGPR84CYP11B1
SCHEMBL20102239 0.94 LPL (0.32) PDK2LPLLIPGGPR84CYP11B1
SCHEMBL17243534 0.94 GPR84 (0.35) LPLLIPGGPR84SLC6A2SLC6A4
SCHEMBL20102240 0.94 LPL (0.31) PDK2LPLLIPGGPR84CYP11B1
SCHEMBL23448793 0.93 LPL (0.34) PDK2LPLLIPGGPR84SLC6A2
SCHEMBL10034349 0.93 PDK2 (0.37) PDK2GPR84CYP11B1
SCHEMBL10034352 0.93 PDK2 (0.37) PDK2GPR84CYP11B1
SCHEMBL10034370 0.93 CYP11B1 (0.34) PDK2LPLLIPGGPR84SLC6A2

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 1940/4885LPL 1699/4885LIPG 1996/4885

“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.