SCHEMBL3913823

SCHEMBL3913823

CC(C)(C)[N+](c1ccccc1)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
ACHE P22303 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A2 P23975 1/20 0.35
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNN4 O15554 2/20 0.32

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
SCHEMBL2119823 0.79 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1TSHRALOX12
SCHEMBL1925168 0.69 ALDH1A1 (0.43) ALDH1A1LMNATSHRCYP3A4ALOX15
SCHEMBL1899890 0.67 ALDH1A1 (0.43) ALDH1A1LMNATSHRALOX12ACHE
SCHEMBL49458 0.67
SCHEMBL451030 0.65 ALDH1A1 (0.47) ALDH1A1LMNATSHRALOX12ACHE
SCHEMBL3887567 0.65
SCHEMBL6850 0.62 MAPK1 (0.50) ALDH1A1MAPK1TSHRTAAR1CYP3A4
SCHEMBL13042644 0.62
SCHEMBL6247502 0.62
SCHEMBL11649729 0.61 CYP3A4 (0.45) ALDH1A1LMNAMAPK1TSHRALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117835718-A White light organic electroluminescent composition and application thereof 深圳大学 2024-04-05 CN claimed
CN-117835718-A White light organic electroluminescent composition and application thereof 深圳大学 2024-04-05 CN disclosed
US-7622201-B2 Pyrene compound and organic light emitting device CANON KABUSHIKI KAISHA (JP) 2009-11-24 US disclosed
US-20090200935-A1 PYRENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-08-13 US disclosed
US-7538250-B2 Pyrene compound and organic light emitting device CANON KABUSHIKI KAISHA (JP) 2009-05-26 US disclosed
US-20080119671-A1 PYRENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-05-22 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-20080119671-A1 PYRENE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE AHR, CYP1A1, ARNT ALDH1A1 604/4885LMNA 1122/4885MAPK1 2652/4885

“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.