SCHEMBL20733736

SCHEMBL20733736

c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2nnc3c4cccnc4c4ccccc4c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TOP1 P11387 3/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ CCR1 P32246 2/20 0.32
▸ CCR8 P51685 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ DHFR P00374 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ GP6 Q9HCN6 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31

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
SCHEMBL20733789 0.94 ALDH1A1 (0.41) ALDH1A1L3MBTL1TOP1CCR1CCR8
SCHEMBL20733790 0.94 ALDH1A1 (0.41) ALDH1A1L3MBTL1TOP1CCR1CCR8
SCHEMBL20733802 0.90 L3MBTL1 (0.39) ALDH1A1L3MBTL1TOP1CCR1CCR8
SCHEMBL20733851 0.87 L3MBTL1 (0.41) ALDH1A1L3MBTL1TOP1PIK3CDCCR1
SCHEMBL20733852 0.86 GP6 (0.41) ALDH1A1L3MBTL1TOP1PIK3CDCCR1
SCHEMBL20733799 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1NPC1RAB9ADHFR
SCHEMBL21041404 0.85 ALDH1A1 (0.43) ALDH1A1L3MBTL1TOP1PIK3CDCCR1
SCHEMBL17720910 0.85 ABCG2 (0.40) ALDH1A1L3MBTL1TOP1MAPT
SCHEMBL17995381 0.84 ALDH1A1 (0.42) ALDH1A1L3MBTL1TOP1PIK3CDCCR1
SCHEMBL20733798 0.83 ABCG2 (0.36) ALDH1A1L3MBTL1TOP1CCR1CCR8

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-20230057590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2023-02-23 — — US disclosed
US-20190051842-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2019-02-14 — — 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-20230057590-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OXER1 ALDH1A1 1010/4885L3MBTL1 803/4885TOP1 1908/4885
US-20190051842-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OXER1 ALDH1A1 1010/4885L3MBTL1 803/4885TOP1 1908/4885

“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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