SCHEMBL25752070

SCHEMBL25752070

CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
HTT P42858 2/20 0.48
GRIA1 P42261 1/20 0.47
CACNG8 Q8WXS5 1/20 0.47
CACNG2 Q9Y698 1/20 0.47
PTGER4 P35408 1/20 0.43
PIN1 Q13526 2/20 0.43
PTGS2 P35354 1/20 0.43
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL25752068 0.96 ESR1 (0.56) ALDH1A1MAPK1MAPTNPSR1ESR1
SCHEMBL25752071 0.93 ALDH1A1 (0.48) ALDH1A1MAPK1MAPTNPSR1ESR1
SCHEMBL15064151 0.92 ESR1 (0.58) ALDH1A1MAPK1MAPTNPSR1ESR1
SCHEMBL25752088 0.90 ESR1 (0.50) ALDH1A1MAPK1MAPTNPSR1ESR1
SCHEMBL24812199 0.88 ESR1 (0.64) ALDH1A1MAPK1MAPTESR1ESR2
SCHEMBL338233 0.88 ESR1 (0.64) ALDH1A1MAPK1MAPTESR1ESR2
SCHEMBL29555357 0.88 ESR1 (0.64) ALDH1A1MAPK1MAPTESR1ESR2
SCHEMBL26017755 0.88 ESR2 (0.60) ALDH1A1MAPK1MAPTNPSR1ESR1
SCHEMBL20776033 0.87 ESR1 (0.53) ALDH1A1MAPK1MAPTNPSR1ESR1
SCHEMBL24813305 0.87 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTNPSR1ESR1

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 ALDH1A1 225/4885MAPK1 3910/4885MAPT 768/4885
US-20230212161-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AOX1, XDH, OCIAD1 ALDH1A1 293/4885MAPK1 4016/4885MAPT 1822/4885

“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.