SCHEMBL13764459

SCHEMBL13764459

CCCc1ccc(-c2ccc(C#N)cc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HRH3 Q9Y5N1 5/20 0.45
CTSK P43235 1/20 0.41
KIF11 P52732 3/20 0.41
CYP2A6 P11509 2/20 0.40
MMP3 P08254 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP11B2 P19099 1/20 0.39
GAA P10253 1/20 0.38
ICMT O60725 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL16941078 0.87 TSHR (0.53) TSHRHSD17B10HRH3KIF11CYP2A6
SCHEMBL13699919 0.86 CYP2A6 (0.47) TSHRHSD17B10HRH3KIF11CYP2A6
SCHEMBL15905720 0.86 MEN1 (0.44) TSHRHSD17B10CTSKCYP2A6ALDH1A1
SCHEMBL16922706 0.84 KIF11 (0.44) TSHRHSD17B10HRH3KIF11CYP2A6
SCHEMBL3997043 0.81 MMP3 (0.46) TSHRHSD17B10HRH3KIF11CYP2A6
SCHEMBL455471 0.79 MAPT (0.40) HSD17B10ALDH1A1GAA
SCHEMBL26991561 0.77 TSHR (0.43) TSHRHSD17B10HRH3KIF11CYP2A6
SCHEMBL29084017 0.76 TSHR (0.42) TSHRHSD17B10HRH3CTSKKIF11
SCHEMBL10304732 0.76 KIF11 (0.50) TSHRHSD17B10HRH3CTSKKIF11
SCHEMBL2154771 0.76 CYP2A6 (0.44) CYP2A6ALDH1A1CYP11B2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-23 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-20090184631-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same ALDH1A2, ODC1, NDUFS2 TSHR 4731/4885HSD17B10 768/4885HRH3 3743/4885

“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.