SCHEMBL17126558

SCHEMBL17126558

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.35
PDK2 Q15119 4/20 0.34
ALK Q9UM73 1/20 0.32
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
LIMK1 P53667 1/20 0.31
GPR3 P46089 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
F9 P00740 1/20 0.30
ALOX5 P09917 1/20 0.30
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
ROCK1 Q13464 1/20 0.30
CYP1A2 P05177 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
SCHEMBL15412924 1.00 PIM3 (0.35) PIM3PDK2ALKPTPN7DUSP3
SCHEMBL9916845 0.99 PDK2 (0.36) PIM3PDK2ALKPTPN7DUSP3
SCHEMBL9916826 0.99 PDK2 (0.36) PIM3PDK2ALKPTPN7DUSP3
SCHEMBL9916797 0.99 PDK2 (0.36) PIM3PDK2ALKPTPN7DUSP3
SCHEMBL17126560 0.98 PIM3 (0.34) PIM3PDK2ALKPTPN7DUSP3
SCHEMBL17806822 0.98 PIM3 (0.34) PIM3PDK2ALKPTPN7DUSP3
SCHEMBL12960101 0.98 PIM3 (0.34) PIM3PDK2ALKPTPN7DUSP3
SCHEMBL17735319 0.98 PIM3 (0.34) PIM3PDK2ALKPTPN7DUSP3
SCHEMBL9916864 0.98 PDK2 (0.36) PIM3PDK2PTPN7DUSP3PTPN12
SCHEMBL17126556 0.98 PDK2 (0.33) PIM3PDK2ALKPTPN7DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180226601-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATION DEVICE, DISPLAY DEVICE, AND MIXED MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2018-08-09 US disclosed
US-20180226601-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATION DEVICE, DISPLAY DEVICE, AND MIXED MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2018-08-09 US disclosed
US-20150280136-A1 ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE INCLUDING THE SAME SAMSUNG SDI CO., LTD. (KR) 2015-10-01 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-20180226601-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, ILLUMINATION DEVICE, DISPLAY DEVICE, AND MIXED MATERIAL TMEM109, L1CAM, CD99 PIM3 3754/4885PDK2 1665/4885ALK 1545/4885

“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.