SCHEMBL2800760

SCHEMBL2800760

CC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)c3cc(CCCc5ccc(-c6cc(-c7ccc(CCCc8ccc9c(c8)c8cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC(C)C)ccc8n9CC(C)C)cc7)cc(-c7ccc(CCCc8ccc9c(c8)c8cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11CC(C)C)ccc8n9CC(C)C)cc7)c6)cc5)ccc3n4CC(C)C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
DNM1 Q05193 3/20 0.45
FDFT1 P37268 2/20 0.44
TSPO P30536 2/20 0.44
RORC P51449 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
RORA P35398 1/20 0.41
RORB Q92753 1/20 0.41
NPY5R Q15761 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
BACE1 P56817 2/20 0.38
CNR2 P34972 2/20 0.37
MCHR2 Q969V1 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL2798025 0.89 KDM4E (0.47) KDM4EALDH1A1HPGDDNM1FDFT1
SCHEMBL2800395 0.89 KDM4E (0.50) KDM4EALDH1A1HPGDDNM1FDFT1
SCHEMBL13231802 0.88 KDM4E (0.49) KDM4EALDH1A1HPGDDNM1FDFT1
SCHEMBL2798021 0.87 KDM4E (0.51) KDM4EALDH1A1HPGDDNM1FDFT1
SCHEMBL13231799 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDDNM1FDFT1
SCHEMBL13231816 0.86 KDM4E (0.45) KDM4EALDH1A1HPGDDNM1FDFT1
SCHEMBL2798922 0.85 ALDH1A1 (0.42) KDM4EALDH1A1HPGDDNM1FDFT1
SCHEMBL3848636 0.84 KDM4E (0.63) KDM4EALDH1A1HPGDDNM1TSPO
SCHEMBL2801396 0.82 ALDH1A1 (0.48) KDM4EALDH1A1HPGDDNM1FDFT1
SCHEMBL13231766 0.80 KDM4E (0.40) KDM4EALDH1A1HPGDDNM1FDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040718-B2 Hybrid host materials for electrophosphorescent devices THE UNIVERSITY OF ROCHESTER (US) 2015-05-26 US claimed
WO-2010085676-A1 HYBRID HOST MATERIALS FOR ELECTROPHOSPHORESCENT DEVICES UNIVERSITY OF ROCHESTER (US) 2010-07-29 WO claimed
US-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices THE UNIVERSITY OF ROCHESTER 2010-07-22 US claimed
US-9040718-B2 Hybrid host materials for electrophosphorescent devices THE UNIVERSITY OF ROCHESTER (US) 2015-05-26 US disclosed
US-9040718-B2 Hybrid host materials for electrophosphorescent devices THE UNIVERSITY OF ROCHESTER (US) 2015-05-26 US disclosed
US-9040718-B2 Hybrid host materials for electrophosphorescent devices THE UNIVERSITY OF ROCHESTER (US) 2015-05-26 US disclosed
WO-2010085676-A1 HYBRID HOST MATERIALS FOR ELECTROPHOSPHORESCENT DEVICES UNIVERSITY OF ROCHESTER (US) 2010-07-29 WO disclosed
US-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices THE UNIVERSITY OF ROCHESTER 2010-07-22 US disclosed
US-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices THE UNIVERSITY OF ROCHESTER 2010-07-22 US disclosed
US-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices THE UNIVERSITY OF ROCHESTER 2010-07-22 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-20100184942-A1 Hybrid Host Materials For Electrophosphorescent Devices SLC29A2, SLC43A3, SLC29A1 KDM4E 4493/4885ALDH1A1 2164/4885HPGD 3352/4885

“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.