SCHEMBL13870913

SCHEMBL13870913

Cc1cccc(-c2ccc3c(C)c(C)c(C)cc3n2)c1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 5/20 0.42
CNR2 P34972 1/20 0.40
AR P10275 8/20 0.38
TLR8 Q9NR97 1/20 0.35
DHFR P00374 1/20 0.34
PTPN1 P18031 1/20 0.34
ACP1 P24666 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL13870892 0.83 PSMB5 (0.44) NUDT1CNR2ARCYP1A2
SCHEMBL13870918 0.80 NQO2 (0.38) AR
SCHEMBL13870902 0.80 NUDT1 (0.44) NUDT1CNR2ARTLR8
SCHEMBL13870912 0.77 KMT2A (0.38) ARTLR8CYP1A2
SCHEMBL13870915 0.77 CYP17A1 (0.38) ARTLR8
SCHEMBL13870900 0.76 BCHE (0.41)
SCHEMBL14500786 0.76 NUDT1 (0.44) NUDT1CYP1A2
SCHEMBL13870954 0.76 AR (0.39) NUDT1CNR2ARTLR8ACP1
SCHEMBL13870945 0.76 RAD52 (0.41) NUDT1DHFR
SCHEMBL13870927 0.76 KDM4E (0.51) NUDT1DHFRCYP1A2

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-8956737-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2015-02-17 US disclosed
US-8956737-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2015-02-17 US disclosed
US-20090085476-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2009-04-02 US disclosed
US-20090085476-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG DISPLAY CO., LTD. (KR) 2009-04-02 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-20090085476-A1 RED PHOSPHORESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME IK, G6PD, EYA2 NUDT1 391/4885CNR2 4734/4885AR 1429/4885

“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.