SCHEMBL17853503

SCHEMBL17853503

c1ccc(-c2nc(-c3ccc(-c4cccc5cnccc45)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPT P10636 6/20 0.39
▸ HPGD P15428 6/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GLA P06280 1/20 0.39
▸ NTSR1 P30989 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ PRKCZ Q05513 1/20 0.35

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
SCHEMBL17853627 0.94 TNF (0.42) TNFALDH1A1MAPTHPGDKDM4E
SCHEMBL15887974 0.91 NTSR1 (0.38) TNFALDH1A1MAPTHPGDKDM4E
SCHEMBL17899168 0.90 ALDH1A1 (0.43) TNFALDH1A1MAPTHPGDKDM4E
SCHEMBL17853501 0.89 PRKCZ (0.47) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17899176 0.89 ALDH1A1 (0.42) TNFALDH1A1MAPTHPGDKDM4E
SCHEMBL10128501 0.87 KMT2A (0.43) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL19271530 0.87 KMT2A (0.43) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL17944848 0.87 TNF (0.56) TNFALDH1A1MAPTHPGDKDM4E
SCHEMBL14416359 0.86 MEN1 (0.40) TNFALDH1A1MAPTHPGDKDM4E
SCHEMBL14416368 0.86 MEN1 (0.40) TNFALDH1A1MAPTHPGDKDM4E

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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-20160181564-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE LEF1, PIEZO1, SLC39A11 TNF 3184/4885ALDH1A1 408/4885MAPT 2833/4885

“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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