SCHEMBL21039142

SCHEMBL21039142

Nc1cccc(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
LMNA P02545 4/20 0.60
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50
GFER P55789 1/20 0.50
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
HSD11B1 P28845 1/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
SERPINE1 P05121 1/20 0.39

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
SCHEMBL27847928 0.86 MEN1 (0.59) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL27943090 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL24522091 0.79 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL24524235 0.78 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL22453160 0.77 LMNA (0.56) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL22452863 0.77 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL26185689 0.77 CYP3A4 (0.50) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL29520622 0.77 CYP3A4 (0.50) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL419753 0.77 MEN1 (0.59) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL27890289 0.77 MEN1 (0.50) ALDH1A1LMNAMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535473-B Preparation method of low-water-absorption cross-linked polyimide aerogel 沈阳化工大学 2021-06-08 CN claimed
US-11038111-B2 Organic electroluminescence device and monoamine compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-15 US disclosed
CN-109535473-B Preparation method of low-water-absorption cross-linked polyimide aerogel 沈阳化工大学 2021-06-08 CN disclosed
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed
US-20190165273-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-05-30 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-11038111-B2 Organic electroluminescence device and monoamine compound for organic electroluminescence device MAOA, MAOB, AOC2 ALDH1A1 26/4885LMNA 2548/4885MEN1 1141/4885
US-20190165273-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE MAOA, MAOB, AOC2 ALDH1A1 26/4885LMNA 2548/4885MEN1 1141/4885

“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.