SCHEMBL2450702

SCHEMBL2450702

[c]1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TAAR1 Q96RJ0 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MMP3 P08254 1/20 0.43
BCL2L1 Q07817 1/20 0.43
ALOX5 P09917 1/20 0.42
MEN1 O00255 2/20 0.40
ESR1 P03372 2/20 0.40
KMT2A Q03164 2/20 0.40
EGFR P00533 1/20 0.39
MAOA P21397 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MGLL Q99685 1/20 0.39
KIF11 P52732 1/20 0.39
ESR2 Q92731 2/20 0.38

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
SCHEMBL21382696 1.00 ALDH1A1 (0.50) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL619546 0.97 ALDH1A1 (0.53) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL28980880 0.94 ALDH1A1 (0.50) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL2448958 0.92 MAOA (0.48) ALDH1A1CYP3A4ALOX5MEN1ESR1
SCHEMBL22092335 0.89 ALDH1A1 (0.65) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL21647914 0.89 CYP1A2 (0.65) ALDH1A1CYP1A2ALOX5ESR2KDM4E
SCHEMBL11972953 0.87 ALDH1A1 (0.43) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL11972750 0.85 ALDH1A1 (0.41) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL21808750 0.85 CYP1A2 (0.54) ALDH1A1TAAR1HSD17B10MAPK1CYP1A2
SCHEMBL21647913 0.85 CYP1A2 (0.60) ALDH1A1TAAR1CYP1A2ALOX5MEN1

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
EP-1640430-B1 Luminescent material and organic electroluminescent device using the same JNC CORP (JP) 2011-09-21 EP disclosed
EP-2177586-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2010-04-21 EP disclosed
EP-1640430-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-03-29 EP disclosed
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-01-19 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-20060014046-A1 Luminescent material and organic electroluminescent device using the same C1S, EPB41, EPB41L2 ALDH1A1 1227/4885TAAR1 683/4885HSD17B10 2775/4885

“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.