SCHEMBL10034346

SCHEMBL10034346

CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)c4ccc5c(c4)C(C)(C)c4cc(-c6cc7ccccc7c7ccccc67)ccc4-5)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 16/20 0.34
CYP11B1 P15538 1/20 0.33
GPR84 Q9NQS5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 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 0.98 PDK2 (0.37) PDK2CYP11B1GPR84ALDH1A1HPGD
SCHEMBL10034352 0.98 PDK2 (0.37) PDK2CYP11B1GPR84ALDH1A1HPGD
SCHEMBL20102238 0.98 PDK2 (0.34) PDK2CYP11B1GPR84ALDH1A1HPGD
SCHEMBL10034415 0.96 PDK2 (0.34) PDK2CYP11B1GPR84ALDH1A1HPGD
SCHEMBL25793474 0.96 CYP11B1 (0.35) PDK2CYP11B1GPR84ALDH1A1HPGD
SCHEMBL10034381 0.96 PDK2 (0.32) PDK2CYP11B1GPR84
SCHEMBL20102231 0.95 PDK2 (0.37) PDK2CYP11B1GPR84ALDH1A1HPGD
SCHEMBL10034410 0.95 PDK2 (0.37) PDK2CYP11B1GPR84ALDH1A1HPGD
SCHEMBL17243529 0.95 PDK2 (0.34) PDK2CYP11B1GPR84ALDH1A1HPGD
SCHEMBL10034404 0.95 PDK2 (0.37) PDK2CYP11B1GPR84ALDH1A1HPGD

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.