SCHEMBL3753661

SCHEMBL3753661

CC1(COCCCCCCOc2ccc(C=O)cc2)COC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
APP P05067 9/20 0.36
KDM4E B2RXH2 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP2A6 P11509 1/20 0.36

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
SCHEMBL15268100 0.99 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL4021910 0.87 CHRNA7 (0.43) APPMAOAMAOB
SCHEMBL10329385 0.84 ACACB (0.45) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL11950259 0.83 DRD2 (0.41) ALDH1A1MAPTLMNAKDM4E
SCHEMBL11950262 0.83 DRD2 (0.41) ALDH1A1MAPTLMNAKDM4E
SCHEMBL13351444 0.83 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL12619904 0.82 KDM4E (0.44) ALDH1A1SMN1; SMN2LMNAKDM4EMAOB
SCHEMBL13578039 0.82 DRD2 (0.42) ALDH1A1MAPTKDM4E
SCHEMBL12312110 0.81 NR5A1 (0.49) APP
SCHEMBL8096022 0.81 TP53 (0.56)

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
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 US disclosed
WO-2009092671-A2 ORGANIC LIGHT EMITTING SYSTEMS BASF SE (DE) 2009-07-30 WO disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 US disclosed
WO-2005123754-A2 TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 WO 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-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof SLC39A3, SLC6A6, SLC6A9 ALDH1A1 2421/4885MAPT 806/4885SMN1; SMN2 1452/4885

“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.