SCHEMBL16574376

SCHEMBL16574376

COc1cc2c3sc4ccc(C(C)C)cc4c3cc3c(OC)cc4c5sc6ccc(C(C)C)cc6c5cc1c4c32

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
PFKFB3 Q16875 2/20 0.33
PFKFB4 Q16877 1/20 0.33
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SCN4A P35499 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
FGFR2 P21802 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL10050666 0.74 NPC1 (0.44) PIM1PIM2HDAC4HDAC8PFKFB3
SCHEMBL13522721 0.73 NPC1 (0.44) PIM1PIM2PFKFB3PFKFB4ALDH1A1
SCHEMBL23776176 0.67 KIF11 (0.41) PIM1PIM2PFKFB3NPC1RAB9A
SCHEMBL13772192 0.65 LMNA (0.39) PIM1PIM2PFKFB3PFKFB4ALDH1A1
SCHEMBL1102421 0.65 GPR3 (0.54) PIM1PIM2PFKFB3PFKFB4ALDH1A1
SCHEMBL11714081 0.64 RAB9A (0.45) PIM1PIM2PFKFB3PFKFB4ALDH1A1
SCHEMBL13766465 0.64 RAB9A (0.39) PIM1PIM2HDAC8PFKFB3PFKFB4
SCHEMBL13772195 0.63 USP2 (0.42) PIM1PIM2HDAC4HDAC8PFKFB3
SCHEMBL2706260 0.63 RAB9A (0.46) PIM1PIM2HDAC4HDAC8ALDH1A1
SCHEMBL789807 0.62 KIF11 (0.39) PIM1PIM2ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10297760-B2 Organic electroluminescent element, compound and material for organic electroluminescent element, used in the same, and light emitting device, display device and illumination device, using the element UDC IRELAND LIMITED (IE) 2019-05-21 US disclosed
US-20180102483-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUND AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, USED IN THE SAME, AND LIGHT EMITTING DEVICE, DISPLAY DEVICE AND ILLUMINATION DEVICE, USING THE ELEMENT UDC IRELAND LTD (IE) 2018-04-12 US disclosed
US-20180102483-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUND AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, USED IN THE SAME, AND LIGHT EMITTING DEVICE, DISPLAY DEVICE AND ILLUMINATION DEVICE, USING THE ELEMENT UDC IRELAND LTD (IE) 2018-04-12 US disclosed
US-9812650-B2 Organic electroluminescent element, compound and material for organic electroluminescent element, used in the same, and light emitting device, display device and illumination device, using the element UDC IRELAND LIMITED (IE) 2017-11-07 US disclosed
US-9812650-B2 Organic electroluminescent element, compound and material for organic electroluminescent element, used in the same, and light emitting device, display device and illumination device, using the element UDC IRELAND LIMITED (IE) 2017-11-07 US disclosed
US-9735368-B2 Organic electroluminescent devices UDC IRELAND LIMITED (IE) 2017-08-15 US disclosed
US-9735368-B2 Organic electroluminescent devices UDC IRELAND LIMITED (IE) 2017-08-15 US disclosed
US-20150076462-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUND AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, USED IN THE SAME, AND LIGHT EMITTING DEVICE, DISPLAY DEVICE AND ILLUMINATION DEVICE, USING THE ELEMENT UDC IRELAND LIMITED (IE) 2015-03-19 US disclosed
US-20150076462-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUND AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, USED IN THE SAME, AND LIGHT EMITTING DEVICE, DISPLAY DEVICE AND ILLUMINATION DEVICE, USING THE ELEMENT UDC IRELAND LIMITED (IE) 2015-03-19 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 (2 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-10297760-B2 Organic electroluminescent element, compound and material for organic electroluminescent element, used in the same, and light emitting device, display device and illumination device, using the element RPS10, RPS20, RPS19 PIM1 2579/4885PIM2 2427/4885HDAC4 3749/4885
US-20180102483-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, COMPOUND AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, USED IN THE SAME, AND LIGHT EMITTING DEVICE, DISPLAY DEVICE AND ILLUMINATION DEVICE, USING THE ELEMENT RPS10, RPS20, RPS19 PIM1 2579/4885PIM2 2427/4885HDAC4 3749/4885

“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.