SCHEMBL21717860

SCHEMBL21717860

CC(C)(C)c1ccc(-c2cc3c4ccccc4n4c5ccccc5c(c2)c34)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
DNM1 Q05193 1/20 0.36
TNF P01375 1/20 0.36
NOD1 Q9Y239 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ADORA2A P29274 1/20 0.35
METAP2 P50579 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
TSPO P30536 1/20 0.35
HSD17B2 P37059 1/20 0.35
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL21710468 0.92 TNKS (0.36) KIF11TP53ALDH1A1MAPTKDM4E
SCHEMBL21717826 0.91 TSPO (0.39) KIF11ALDH1A1MAPTKDM4EMEN1
SCHEMBL16621748 0.88 KIF11 (0.39) KIF11TP53ALDH1A1MAPTKDM4E
SCHEMBL14685651 0.87 TSPO (0.33) KIF11TP53ALDH1A1MAPTKDM4E
SCHEMBL22858084 0.87 PTGES (0.36) TP53ALDH1A1MAPTKDM4EMEN1
SCHEMBL10015047 0.86 GPR3 (0.39) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL20857895 0.85 TP53 (0.37) KIF11TP53ALDH1A1MAPTKDM4E
SCHEMBL25687032 0.85 KDM4E (0.45) TP53ALDH1A1MAPTKDM4ELMNA
SCHEMBL21717848 0.84 KIF11 (0.41) KIF11ALDH1A1MAPTKDM4EMEN1
SCHEMBL30097956 0.84 HDAC6 (0.37) KIF11TP53ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029119-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2024-07-02 US disclosed
US-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-11723272-B2 Organic electroluminescence element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2023-08-08 US disclosed
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO., LTD. (JP) 2021-01-07 US disclosed
US-20200365812-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2020-11-19 US disclosed
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 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 (3 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-12029119-B2 Organic electroluminescence element and electronic device LEF1, L1CAM, ESR2 KIF11 2452/4885TP53 1871/4885ALDH1A1 153/4885
US-20200052225-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE LEF1, L1CAM, ESR2 KIF11 2452/4885TP53 1871/4885ALDH1A1 153/4885
US-20210005826-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC APPARATUS EML4, EBPL, LEF1 KIF11 2031/4885TP53 2471/4885ALDH1A1 189/4885

“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.