SCHEMBL16406803

SCHEMBL16406803

CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)n3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ HPGD P15428 6/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ MAPT P10636 7/20 0.32
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ ACACA Q13085 2/20 0.32
▸ MEN1 O00255 6/20 0.32
▸ KMT2A Q03164 6/20 0.32
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 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
SCHEMBL16978582 0.97 MAPT (0.33) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL19104499 0.97 MAPT (0.33) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL16978573 0.97 MAPT (0.33) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL783565 0.97 MAPT (0.34) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL15625656 0.96 KDM4E (0.35) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL22747704 0.94 TUBB4A (0.39) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL17345860 0.94 CAMK2D (0.32) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL18505384 0.94 CAMK2D (0.32) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL19104513 0.93 KDM4E (0.31) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL10039222 0.93 CAMK2D (0.32) PDK2

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-20170200904-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-07-13 — — US disclosed
US-20170200904-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-07-13 — — US disclosed
US-20150025239-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME AHN HEE-CHOON (KR) 2015-01-22 — — US disclosed
US-20150025239-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME AHN HEE-CHOON (KR) 2015-01-22 — — 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-20170200904-A1 AN ORGANIC ELECTROLUMINESCENT COMPOUND AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, ODC1, ESD KDM4E 815/4885ALDH1A1 445/4885HPGD 2391/4885

“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.

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