SCHEMBL21076115

SCHEMBL21076115

CC(C)c1ccc(-n2c3cccc(C#N)c3c3c(C#N)cccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MGLL Q99685 1/20 0.38
NPBWR1 P48145 1/20 0.35
MCHR1 Q99705 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AR P10275 2/20 0.34
MCL1 Q07820 2/20 0.33
PANK3 Q9H999 2/20 0.33
IMPDH2 P12268 1/20 0.33
SCN9A Q15858 1/20 0.32
ERBB2 P04626 1/20 0.32
NOTUM Q6P988 2/20 0.32

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
SCHEMBL22148484 0.78 CYP2A6 (0.42) KDM4ENPC1POLBHPGDRAB9A
SCHEMBL21076083 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1POLBHPGD
SCHEMBL21076112 0.73 AR (0.38) ALDH1A1KDM4ENPC1POLBHPGD
SCHEMBL21076117 0.72 SMN1; SMN2 (0.40) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL22153413 0.71 ATM (0.55) ALDH1A1KDM4ESMN1; SMN2TDP1IMPDH2
SCHEMBL22153370 0.71 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2TDP1IMPDH2
SCHEMBL1102414 0.71 KDM4E (0.59) ALDH1A1KDM4ENPC1POLBHPGD
SCHEMBL18030917 0.70 IMPDH2 (0.46) ALDH1A1KDM4ESMN1; SMN2IMPDH2NOTUM
SCHEMBL18031008 0.70 GPR3 (0.43) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL18030983 0.70 GPR3 (0.43) ALDH1A1KDM4EHPGDIMPDH2

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-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-06-25 US disclosed
US-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 US disclosed
US-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 US disclosed
US-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 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 (4 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-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA ALDH1A1 60/4885KDM4E 4374/4885NPC1 749/4885
US-20190173017-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA ALDH1A1 60/4885KDM4E 4374/4885NPC1 749/4885
US-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 ALDH1A1 96/4885KDM4E 4409/4885NPC1 842/4885
US-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA ALDH1A1 60/4885KDM4E 4374/4885NPC1 749/4885

“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.