SCHEMBL21041404

SCHEMBL21041404

c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ccc3c4ccccc4c4ncccc4c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ PIK3CD O00329 1/20 0.40
▸ HSP90AA1 P07900 5/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ PARP1 P09874 3/20 0.39
▸ TOP1 P11387 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CCR1 P32246 2/20 0.37
▸ CCR8 P51685 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ TP53 P04637 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALOX15 P16050 2/20 0.36

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
SCHEMBL17995381 0.98 ALDH1A1 (0.42) ALDH1A1PIK3CDHSP90AA1NPC1L3MBTL1
SCHEMBL16543266 0.91 MEN1 (0.37) ALDH1A1PIK3CDHSP90AA1NPC1L3MBTL1
SCHEMBL16543272 0.91 MEN1 (0.37) ALDH1A1PIK3CDHSP90AA1NPC1L3MBTL1
SCHEMBL16543278 0.91 MEN1 (0.37) ALDH1A1PIK3CDHSP90AA1NPC1L3MBTL1
SCHEMBL16543288 0.91 MEN1 (0.37) ALDH1A1PIK3CDHSP90AA1NPC1L3MBTL1
SCHEMBL14803465 0.91 MEN1 (0.37) ALDH1A1PIK3CDHSP90AA1NPC1L3MBTL1
SCHEMBL18252368 0.91 L3MBTL1 (0.40) ALDH1A1PIK3CDNPC1L3MBTL1PARP1
SCHEMBL17720910 0.89 ABCG2 (0.40) ALDH1A1L3MBTL1TOP1KDM4EMEN1
SCHEMBL15761454 0.89 ALDH1A1 (0.40) ALDH1A1NPC1L3MBTL1TOP1POLB
SCHEMBL14803837 0.89 MEN1 (0.36) ALDH1A1PIK3CDHSP90AA1NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301338-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-05-28 — — 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-10301338-B2 Organic electroluminescent materials and devices PNMT, TAAR5, TST ALDH1A1 2954/4885PIK3CD 2999/4885HSP90AA1 4755/4885

“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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