SCHEMBL13562000

SCHEMBL13562000

CCCCCc1cc2ccc3c4cc5ccccc5cc4ccc3c2n1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 9/20 0.37
MAPT P10636 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
KCNA3 P22001 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
TLR8 Q9NR97 1/20 0.33
HSD11B1 P28845 1/20 0.33
CNR2 P34972 1/20 0.32

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
SCHEMBL13561999 0.96 OXER1 (0.36) OXER1MAPTGPR84MEN1NPC1
SCHEMBL13562001 0.91 HSD17B10 (0.34) MEN1KMT2AATM
SCHEMBL12279465 0.89 GPR84 (0.43) OXER1GPR84TLR7RORARORC
SCHEMBL12278625 0.87 GPR84 (0.45) OXER1GPR84TLR7RORARORC
SCHEMBL12279322 0.87 GPR84 (0.45) OXER1GPR84TLR7RORARORC
SCHEMBL12279256 0.87 GPR84 (0.45) OXER1GPR84TLR7RORARORC
SCHEMBL12279330 0.87 GPR84 (0.45) OXER1GPR84TLR7RORARORC
SCHEMBL12279327 0.87 GPR84 (0.45) OXER1GPR84TLR7RORARORC
SCHEMBL12279259 0.87 GPR84 (0.45) OXER1GPR84TLR7RORARORC
SCHEMBL12278817 0.87 GPR84 (0.45) OXER1GPR84TLR7RORARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8766243-B2 Heterocycle-containing asymmetric aromatic compound, compound for organic thin film transistor, and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-01 US disclosed
US-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 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-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME TCF4, TPR, H1-4 OXER1 178/4885MAPT 391/4885GPR84 1552/4885

“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.