SCHEMBL20317136

SCHEMBL20317136

c1ccc(-c2ccc(-c3ccccc3Nc3cccc4ccccc34)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.56
ALDH1A1 P00352 2/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
ATM Q13315 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
SIGMAR1 Q99720 1/20 0.49
CCR4 P51679 1/20 0.49
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
FADS1 O60427 1/20 0.44
CA12 O43570 2/20 0.42

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
SCHEMBL30353953 0.96 CDC25B (0.60) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL2793972 0.96 CDC25B (0.60) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL24155702 0.89 CDC25B (0.60) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL16383581 0.88 CDC25B (0.51) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL27503976 0.88 CDC25B (0.51) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL18655632 0.87 CDC25B (0.51) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL24550973 0.86 ALDH1A1 (0.49) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL30724563 0.85 ALDH1A1 (0.56) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL20317132 0.85 ALDH1A1 (0.56) CDC25BALDH1A1TP53CYP3A4HPGD
SCHEMBL26557613 0.85 ALDH1A1 (0.51) CDC25BALDH1A1TP53CYP3A4HPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11812623-B2 Hetero-cyclic compound and organic light emitting device using the same LT MATERIALS CO., LTD. (KR) 2023-11-07 US disclosed
US-11812623-B2 Hetero-cyclic compound and organic light emitting device using the same LT MATERIALS CO., LTD. (KR) 2023-11-07 US disclosed
US-20200403157-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LT MATERIALS CO., LTD. (KR) 2020-12-24 US disclosed
US-10840456-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-11-17 US disclosed
US-20180182974-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-06-28 US disclosed
US-20180182974-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-06-28 US disclosed
CN-100528831-C Organic electroluminescent device and phenylenediamine derivative IDEMITSU KOSAN CO (JP) 2009-08-19 CN disclosed
CN-101096344-A Organic electroluminescent device and phenylenediamine derivative IDEMITSU KOSAN CO (JP) 2008-01-02 CN disclosed
CN-1733700-A Organic electroluminescent device and phenylenediamine derivative IDEMITSU KOSAN CO (JP) 2006-02-15 CN disclosed
CN-1213127-C Organic electroluminescent device and phenylenediamine derivative IDEMITSU KOSAN CO (JP) 2005-08-03 CN disclosed
CN-1277626-A Organic electroluminescent device and phenylenediamine derivative IDEMITSU KOSAN CO (JP) 2000-12-20 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 (4 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-11812623-B2 Hetero-cyclic compound and organic light emitting device using the same CRY1, CRY2, PER2 CDC25B 477/4885ALDH1A1 1915/4885TP53 3703/4885
US-20200403157-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CRY1, CRY2, PER2 CDC25B 477/4885ALDH1A1 1915/4885TP53 3703/4885
US-20180182974-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE L1CAM, PIEZO1, LEF1 CDC25B 2365/4885ALDH1A1 21/4885TP53 3244/4885
US-10840456-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic device L1CAM, PIEZO1, LEF1 CDC25B 2365/4885ALDH1A1 21/4885TP53 3244/4885

“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.