SCHEMBL18624946

SCHEMBL18624946

Brc1ccccc1-n1c2cccc3ccc4cccc1c4c32

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ MGLL Q99685 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 5/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ HCAR1 Q9BXC0 3/20 0.36
▸ THRB P10828 1/20 0.35
▸ GAA P10253 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ PDE7A Q13946 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NSD2 O96028 1/20 0.33

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
SCHEMBL22213918 0.81 TDP1 (0.38) GSK3AGSK3BMGLLALDH1A1HPGD
SCHEMBL16870661 0.80 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10CYP1A2CYP1A1
SCHEMBL18624952 0.79 HTR6 (0.41) ALDH1A1HPGDHSD17B10CYP1A2CYP1A1
SCHEMBL27301995 0.78 ALDH1A1 (0.42) GSK3AGSK3BMGLLALDH1A1CYP1A2
SCHEMBL21234348 0.78 TDP1 (0.41) GSK3AGSK3BALDH1A1HPGDHSD17B10
SCHEMBL16870711 0.78 TDP1 (0.47) GSK3AGSK3BALDH1A1HPGDHSD17B10
SCHEMBL16870523 0.76 ALDH1A1 (0.48) GSK3AGSK3BALDH1A1HPGDHSD17B10
SCHEMBL782631 0.75 ALDH1A1 (0.50) GSK3AGSK3BMGLLALDH1A1CYP1A2
SCHEMBL29521714 0.75 ALDH1A1 (0.50) GSK3AGSK3BMGLLALDH1A1CYP1A2
SCHEMBL16666041 0.75 CNR2 (0.39) GSK3AGSK3BALDH1A1HPGDHSD17B10

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-20170077411-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-16 — — US disclosed
US-20170077411-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-16 — — 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-20170077411-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CCNL2, TLL1, L3MBTL1 GSK3A 4673/4885GSK3B 4614/4885MGLL 763/4885

“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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