SCHEMBL21077138

SCHEMBL21077138

CCn1c2c(-c3ccccc3)cccc2c2cccc(-c3ccccc3)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
KDM4E B2RXH2 5/20 0.42
RCE1 Q9Y256 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
BRD4 O60885 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FABP4 P15090 2/20 0.37
FABP5 Q01469 1/20 0.37
CRHR1 P34998 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL27900579 0.90 KDM4E (0.49) KDM4ERCE1ALDH1A1HPGDPOLB
SCHEMBL16865754 0.84 ALDH1A1 (0.49) KDM4ERCE1ALDH1A1HPGDPOLB
SCHEMBL16865764 0.82 ALDH1A1 (0.47) KDM4ERCE1ALDH1A1HPGDPOLB
SCHEMBL28836492 0.81 KDM4E (0.44) KDM4ERCE1ALDH1A1HPGDPOLB
SCHEMBL25491309 0.81 KDM4E (0.42) PDCD1CD274KDM4ERCE1ALDH1A1
SCHEMBL16865748 0.81 NPY5R (0.44) KDM4ERCE1ALDH1A1HPGDPOLB
SCHEMBL25787463 0.80 PDCD1 (0.40) PDCD1CD274KDM4ERCE1ALDH1A1
SCHEMBL6280030 0.80 KDM4E (0.50) KDM4ERCE1ALDH1A1HPGDPOLB
SCHEMBL21023176 0.80 ALDH1A1 (0.49) KDM4ERCE1ALDH1A1HPGDPOLB
SCHEMBL14931060 0.78 HSD17B10 (0.46) PDCD1CD274ALDH1A1HPGDBRD4

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 2 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-20190173020-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 (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-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 PDCD1 3895/4885CD274 2675/4885KDM4E 4409/4885
US-20190173020-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA PDCD1 3418/4885CD274 2214/4885KDM4E 4374/4885

“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.