SCHEMBL16366338

SCHEMBL16366338

CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)ccc3-4)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.41
TDP2 O95551 1/20 0.36
PGR P06401 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
TLR9 Q9NR96 1/20 0.34
APAF1 O14727 1/20 0.34

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
SCHEMBL16366391 1.00 PDK2 (0.41) PDK2TDP2PGRL3MBTL1ALDH1A1
SCHEMBL17153716 1.00 PDK2 (0.41) PDK2TDP2PGRL3MBTL1ALDH1A1
SCHEMBL16366127 1.00 PDK2 (0.41) PDK2TDP2PGRL3MBTL1ALDH1A1
SCHEMBL15496209 1.00 PDK2 (0.41) PDK2TDP2PGRL3MBTL1ALDH1A1
SCHEMBL17153690 1.00 PDK2 (0.41) PDK2TDP2PGRL3MBTL1ALDH1A1
SCHEMBL24923289 1.00 PDK2 (0.41) PDK2TDP2PGRL3MBTL1ALDH1A1
SCHEMBL16366387 1.00 PDK2 (0.41) PDK2TDP2PGRL3MBTL1ALDH1A1
SCHEMBL16366403 1.00 PDK2 (0.41) PDK2TDP2PGRL3MBTL1ALDH1A1
SCHEMBL16922969 1.00 PDK2 (0.41) PDK2TDP2PGRL3MBTL1ALDH1A1
SCHEMBL17153624 1.00 PDK2 (0.41) PDK2TDP2PGRL3MBTL1ALDH1A1

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-9871203-B2 Aromatic amine derivative, organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-01-16 US disclosed
US-9871203-B2 Aromatic amine derivative, organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-01-16 US disclosed
US-20150287921-A1 AROMATIC AMINE DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2015-10-08 US disclosed
US-20150287921-A1 AROMATIC AMINE DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2015-10-08 US disclosed
EP-2816025-A1 AROMATIC AMINE DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2014-12-24 EP 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-20150287921-A1 AROMATIC AMINE DERIVATIVE, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE RER1, AFF1, ESR2 PDK2 3794/4885TDP2 3085/4885PGR 720/4885

“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.