SCHEMBL22213918

SCHEMBL22213918

Brc1ccccc1-n1c2ccccc2c2c3ccccc3ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.38
▸ PDE7A Q13946 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HCAR1 Q9BXC0 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 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
SCHEMBL29625640 0.87 TDP1 (0.41) TDP1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL29625568 0.86 TDP1 (0.41) TDP1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL16666041 0.85 CNR2 (0.39) TDP1PDE7AALDH1A1TSHRHSD17B10
SCHEMBL13510731 0.82 ALDH1A1 (0.44) TDP1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL21234348 0.81 TDP1 (0.41) TDP1PDE7AALDH1A1TSHRHSD17B10
SCHEMBL6569207 0.81 TDP1 (0.43) TDP1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL18624946 0.81 GSK3A (0.38) TDP1PDE7AALDH1A1TSHRHSD17B10
SCHEMBL28842820 0.81 TDP1 (0.38) TDP1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL20154638 0.81 TSHR (0.45) TDP1ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL29521714 0.80 ALDH1A1 (0.50) PDE7AALDH1A1GSK3AGSK3BPOLB

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-11380848-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-07-05 — — US disclosed
US-20200227649-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-07-16 — — 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 (2 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-20200227649-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME OCIAD1, SLCO4C1, ODC1 TDP1 1291/4885PDE7A 3213/4885ALDH1A1 192/4885
US-11380848-B2 Organic compound and organic electroluminescence device using the same OCIAD1, SLCO4C1, ODC1 TDP1 1252/4885PDE7A 3054/4885ALDH1A1 236/4885

“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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