SCHEMBL1102571

SCHEMBL1102571

CN1c2ccccc2CCc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)N(C)c4ccccc4CC5)c4cnccc34)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.40
CYP11B2 P19099 9/20 0.40
CYP19A1 P11511 4/20 0.40
CYP17A1 P05093 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 2/20 0.34
HSD17B3 P37058 1/20 0.33
ACHE P22303 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
LATS1 O95835 1/20 0.32
TOP2A P11388 1/20 0.32
DRD2 P14416 3/20 0.32
AVPR2 P30518 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
CHRM1 P11229 2/20 0.32
STAT3 P40763 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 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
SCHEMBL1102692 0.83 ADRA2A (0.37) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL1102964 0.81 KMT2A (0.36) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL1103350 0.79 CYP11B1 (0.34) CYP11B1CYP11B2CYP19A1CYP17A1CYP1A2
SCHEMBL1102778 0.79 P2RX4 (0.35) ACHEGRIN1GRIN2ATOP2A
SCHEMBL13488282 0.77 HSD17B3 (0.38) HSD17B3ACHE
SCHEMBL13488287 0.76 HSD17B3 (0.39) HSD17B3ACHE
SCHEMBL1102785 0.75 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1CYP17A1
SCHEMBL1102512 0.74 CYP11B1 (0.56) CYP11B1CYP11B2CYP1A2CYP3A4ACHE
SCHEMBL13488283 0.74 AKT1 (0.38) CYP11B1CYP11B2CYP1A2CYP3A4HSD17B3
SCHEMBL1102651 0.73 CYP11B1 (0.36) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4

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 5 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
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 EP 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 CYP11B1 836/4885CYP11B2 652/4885CYP19A1 1424/4885

“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.