SCHEMBL23707018

SCHEMBL23707018

COc1cc(N2CCC(N3CCCC3)CC2)ccc1C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 13/20 0.54
L3MBTL1 Q9Y468 13/20 0.54
MBTD1 Q05BQ5 4/20 0.47
ALDH1A1 P00352 2/20 0.44
TP53BP1 Q12888 4/20 0.43
PLK1 P53350 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
ALK Q9UM73 1/20 0.42
EGFR P00533 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL13165353 0.90 INSR (0.48) ALDH1A1PLK1INSRIGF1RALK
SCHEMBL12139661 0.85 L3MBTL3 (0.49) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL23997023 0.83 ALDH1A1 (0.53) ALDH1A1LMNA
SCHEMBL1911895 0.82 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1ALDH1A1TP53BP1
SCHEMBL12139624 0.82 DPP4 (0.43) ALDH1A1LMNAALKEGFR
SCHEMBL23707075 0.82 NTSR1 (0.42) ALDH1A1PLK1LMNAINSRIGF1R
SCHEMBL1911852 0.81 L3MBTL3 (0.57) L3MBTL3L3MBTL1MBTD1ALDH1A1TP53BP1
SCHEMBL520836 0.81 L3MBTL1 (0.57) L3MBTL3L3MBTL1MBTD1ALDH1A1TP53BP1
SCHEMBL23328575 0.80 SUV39H2 (0.43) ALDH1A1PLK1INSRIGF1RALK
SCHEMBL13981638 0.80 L3MBTL1 (0.55) L3MBTL3L3MBTL1MBTD1ALDH1A1TP53BP1

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-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof Hongyun Biotech Co., Ltd. (CN) 2021-08-03 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-11078213-B2 Thienopyrimidine compound, preparation method thereof, pharmaceutical composition and application thereof ALK, MET, TIE1 L3MBTL3 1968/4885L3MBTL1 1569/4885MBTD1 1315/4885

“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.