SCHEMBL2801070

SCHEMBL2801070

CC(C)Cn1c2ccccc2c2cc(-c3ccc4c(c3)C(CC(C)C)(CC(C)C)c3cc(Br)ccc3-4)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
TSPO P30536 2/20 0.37
PTGER4 P35408 1/20 0.37
DNM1 Q05193 6/20 0.37
MAPT P10636 3/20 0.36
DNMT1 P26358 1/20 0.36
TP53 P04637 1/20 0.36
NPY5R Q15761 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 1/20 0.35
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL2799882 0.98 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMEN1RAD52
SCHEMBL2803193 0.84 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMEN1RAD52
SCHEMBL2801388 0.84 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EKMT2ATSPO
SCHEMBL13231766 0.82 KDM4E (0.40) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL2803197 0.81 ALDH1A1 (0.39) ALDH1A1HPGDKDM4ETSPODNM1
SCHEMBL2803166 0.81 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ETSPOPTGER4
SCHEMBL2801681 0.79 ALDH1A1 (0.61) ALDH1A1HPGDKDM4EMEN1RAD52
SCHEMBL13231765 0.78 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EPTGER4DNM1
SCHEMBL3848636 0.75 KDM4E (0.63) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL2803154 0.74 PDK2 (0.38) ALDH1A1MEN1KMT2A

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 3 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
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.