SCHEMBL13026440

SCHEMBL13026440

CC1=CN2CC(c3ccccc3)N=C2C=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ALPL P05186 2/20 0.38
ALPI P09923 1/20 0.38
ADRA2B P18089 1/20 0.38
DRD1 P21728 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
PMP22 Q01453 1/20 0.37
BLM P54132 1/20 0.37
NPC1 O15118 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 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
SCHEMBL14046612 0.76 ALPL (0.34) ALDH1A1ALPLALPIADRA2BDRD1
SCHEMBL6418003 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDALPLALPI
SCHEMBL6418006 0.74 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDALPLALPI
SCHEMBL1688093 0.71 NPC1 (0.41) ALDH1A1KDM4EALPLALPIADRA2B
SCHEMBL11221891 0.62 SLC18A3 (0.41) ALDH1A1KDM4EALPLALPIADRA2B
Hydrochloric Acid SCHEMBL11267503 0.62 NPC1 (0.39) ALDH1A1ALPLALPIADRA2BDRD1
SCHEMBL6416223 0.61 NPC1 (0.41) ALDH1A1ALPLALPIADRA2BDRD1
SCHEMBL6416236 0.61 NPC1 (0.41) ALDH1A1ALPLALPIADRA2BDRD1
SCHEMBL280518 0.61 MEN1 (0.40) ALDH1A1ALPLALPIADRA2BDRD1
Antafenite SCHEMBL1816492 0.61 ALPL (0.50) ALDH1A1KDM4EALPLALPIADRA2B

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-7854999-B2 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2010-12-21 US disclosed
US-20080100207-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same SAMSUNG DISPLAY CO., LTD. (KR) 2008-05-01 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-20080100207-A1 Organoelectroluminescent compound and organoelectroluminescent device employing the same PPOX, EML4, DDT ALDH1A1 861/4885KDM4E 2854/4885HPGD 714/4885

“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.