SCHEMBL25752068

SCHEMBL25752068

CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)c3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
ALDH1A1 P00352 7/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GRIA1 P42261 1/20 0.49
CACNG8 Q8WXS5 1/20 0.49
CACNG2 Q9Y698 1/20 0.49
PTGS2 P35354 1/20 0.45
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
PIN1 Q13526 2/20 0.42
RAB9A P51151 1/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 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
SCHEMBL25752070 0.96 ALDH1A1 (0.53) ESR1ESR2ALDH1A1MAPTMAPK1
SCHEMBL25752088 0.93 ESR1 (0.50) ESR1ESR2ALDH1A1MAPTMAPK1
SCHEMBL19374106 0.91 ESR1 (0.67) ESR1ESR2ALDH1A1MAPTMAPK1
SCHEMBL25752071 0.90 ALDH1A1 (0.48) ESR1ESR2ALDH1A1MAPTMAPK1
SCHEMBL26017755 0.90 ESR2 (0.60) ESR1ESR2ALDH1A1MAPTMAPK1
SCHEMBL1104867 0.90 ESR1 (0.68) ESR1ESR2ALDH1A1MAPTMAPK1
SCHEMBL13042788 0.89 ESR1 (0.50) ESR1ESR2ALDH1A1MAPTMAPK1
SCHEMBL14363285 0.88 ESR1 (0.67) ESR1ESR2ALDH1A1MAPTMAPK1
SCHEMBL2604851 0.88 ESR1 (0.67) ESR1ESR2ALDH1A1MAPTMAPK1
SCHEMBL2604831 0.88 ESR1 (0.67) ESR1ESR2ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230217814-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-20230217814-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-20230212161-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-20230212161-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-07-06 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-20230217814-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AOX1, XDH, PPOX ESR1 176/4885ESR2 434/4885ALDH1A1 225/4885
US-20230212161-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AOX1, XDH, OCIAD1 ESR1 136/4885ESR2 397/4885ALDH1A1 293/4885

“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.