SCHEMBL17854959

SCHEMBL17854959

CCN(CC)Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ PDK2 Q15119 3/20 0.40
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ BCHE P06276 1/20 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
SCHEMBL18079822 0.91 PDK2 (0.43) ADORA2AADORA1PDK2MAPTMEN1
SCHEMBL18079825 0.90 ADORA2A (0.42) ADORA2AADORA1PDK2MAPTMEN1
SCHEMBL17854966 0.85 PNMT (0.41) ADORA2AADORA1PDK2BCHEMAOB
SCHEMBL18907590 0.84 ADORA2A (0.42) ADORA2AADORA1PDK2MAPTMEN1
SCHEMBL17854969 0.82 ALDH1A1 (0.39) ADORA2AADORA1PDK2KDM4ETSHR
SCHEMBL18079829 0.79 ADORA2A (0.42) ADORA2AADORA1PDK2MAPTMEN1
SCHEMBL17903074 0.78 KMT2A (0.46) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL23654787 0.77 MEN1 (0.44) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL16559089 0.77 DDB1 (0.40) PDK2MAPTMEN1KMT2AKDM4E
SCHEMBL16544649 0.75 PDK2 (0.42) PDK2MAPTKDM4ELMNATSHR

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-20170155050-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 — — US disclosed
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, 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-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, ESR2, CCNE2 ADORA2A 590/4885ADORA1 219/4885PDK2 2282/4885

“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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