SCHEMBL1102713

SCHEMBL1102713

c1ccc2c(c1)Oc1ccccc1N2c1c2ccccc2c(-c2cccc3ccccc23)c2ccncc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.39
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
KDR P35968 2/20 0.33
BCHE P06276 3/20 0.33
CYP11B2 P19099 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
SLC22A12 Q96S37 1/20 0.32
GFER P55789 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
SCHEMBL1102546 0.86 MAOA (0.39) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1102915 0.84 TNF (0.40) TNFMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1102855 0.84 TNF (0.40) TNFMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1102910 0.84 TNF (0.37) TNFMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1102891 0.83 ALOX5 (0.36) TNFSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1102819 0.81 TNF (0.40) TNFMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1102850 0.81 CYP11B1 (0.38) MAPTSMN1; SMN2RAB9ANPC1CYP11B2
SCHEMBL1103240 0.81 KDM4E (0.37) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL1103612 0.78 POLB (0.35) MAPTSMN1; SMN2KDM4EALDH1A1MAPK1
SCHEMBL1103691 0.77 TNF (0.56) TNFMAPTSMN1; SMN2KDM4EALDH1A1

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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 TNF 3803/4885MAPT 3162/4885SMN1; SMN2 4091/4885

“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.