SCHEMBL2800147

SCHEMBL2800147

C=CCc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4CC(C)C)ccc1n2CC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
RORC P51449 1/20 0.43
DNM1 Q05193 3/20 0.43
NPY5R Q15761 2/20 0.41
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
TSPO P30536 1/20 0.39
BACE1 P56817 2/20 0.39
PTGS2 P35354 1/20 0.38
PTGER4 P35408 1/20 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
SCHEMBL2800417 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL2801388 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL2801687 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL3848636 0.82 KDM4E (0.63) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL7963388 0.81 KDM4E (0.58) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL2803193 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDMAPTDNM1
SCHEMBL2800760 0.79 KDM4E (0.50) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL10797935 0.77 KDM4E (0.42) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL2801853 0.77 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDPOLBMAPT
SCHEMBL4570378 0.76 KDM4E (0.43) ALDH1A1KDM4EHPGDPOLBMAPT

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 5 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 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

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 2164/4885KDM4E 4493/4885HPGD 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.