SCHEMBL2803166

SCHEMBL2803166

CC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)C(CC(C)C)(CC(C)C)c3cc(-c5ccc6c(c5)c5cc(CCCc7ccc(-c8nc(-c9ccc(CCCc%10ccc%11c(c%10)c%10cc(-c%12ccc%13c(c%12)C(CC(C)C)(CC(C)C)c%12cc(-c%14ccc%15c(c%14)c%14ccccc%14n%15CC(C)C)ccc%12-%13)ccc%10n%11CC(C)C)cc9)nc(-c9ccc(CCCc%10ccc%11c(c%10)c%10cc(-c%12ccc%13c(c%12)C(CC(C)C)(CC(C)C)c%12cc(-c%14ccc%15c(c%14)c%14ccccc%14n%15CC(C)C)ccc%12-%13)ccc%10n%11CC(C)C)cc9)n8)cc7)ccc5n6CC(C)C)ccc3-4)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RORC P51449 2/20 0.36
FDFT1 P37268 2/20 0.35
DNM1 Q05193 1/20 0.34
MCHR2 Q969V1 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PTGER4 P35408 3/20 0.33
NPY5R Q15761 4/20 0.33
TSPO P30536 1/20 0.32
RORA P35398 1/20 0.32
RORB Q92753 1/20 0.32
TPH1 P17752 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL13231765 0.97 ALDH1A1 (0.38) ALDH1A1HPGDKDM4ERORCFDFT1
SCHEMBL13231766 0.91 KDM4E (0.40) ALDH1A1HPGDKDM4ERORCFDFT1
SCHEMBL2800395 0.88 KDM4E (0.50) ALDH1A1HPGDKDM4ERORCFDFT1
SCHEMBL2798021 0.86 KDM4E (0.51) ALDH1A1HPGDKDM4ERORCFDFT1
SCHEMBL2801396 0.82 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ERORCFDFT1
SCHEMBL2801388 0.81 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ERORCDNM1
SCHEMBL13264172 0.81 KDM4E (0.37) ALDH1A1HPGDKDM4ERORCFDFT1
SCHEMBL2799882 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ERORCDNM1
SCHEMBL2801070 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ERORCDNM1
SCHEMBL2800760 0.79 KDM4E (0.50) ALDH1A1HPGDKDM4ERORCFDFT1

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
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
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

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 ALDH1A1 2164/4885HPGD 3352/4885KDM4E 4493/4885

“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.