SCHEMBL17836983

SCHEMBL17836983

CC(=O)c1ccc2ccccc2c1-c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ SOS1 Q07889 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ DNMT1 P26358 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GRM2 Q14416 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ ADK P55263 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.37

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
SCHEMBL17070768 0.78 WDR5 (0.59) WDR5ALDH1A1MAPTHPGDSOS1
SCHEMBL2016154 0.78 POLB (0.52) WDR5ALDH1A1MAPTHPGDMAOB
SCHEMBL31520424 0.78 POLB (0.52) WDR5ALDH1A1MAPTHPGDMAOB
SCHEMBL14397431 0.77 WDR5 (0.69) WDR5ALDH1A1MAPTHPGDSOS1
SCHEMBL10384451 0.77 DNMT1 (0.50) WDR5ALDH1A1MAPTMAOBDNMT1
SCHEMBL13966913 0.76 CYP2A6 (0.48) ALDH1A1MAPTHPGDMAOBDNMT1
SCHEMBL29674891 0.76 CYP2A6 (0.48) ALDH1A1MAPTHPGDMAOBDNMT1
SCHEMBL5109153 0.73 KMT2A (0.45) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL17264189 0.73 WDR5 (0.49) WDR5ALDH1A1MAPTHPGDMAOB
SCHEMBL17836986 0.73 HSD17B10 (0.37) WDR5ALDH1A1MAPTHPGDSOS1

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-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
US-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — US disclosed
CN-105492413-A Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO 2016-04-13 — — CN 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-20160181542-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME L1CAM, H1-10, H1-0 WDR5 3919/4885ALDH1A1 605/4885MAPT 4639/4885

“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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