SCHEMBL1102896

SCHEMBL1102896

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccncc45)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.39
PDK2 Q15119 3/20 0.38
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
BACE1 P56817 1/20 0.34
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
HTR2C P28335 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC22A12 Q96S37 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 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
SCHEMBL1102772 0.96 TNF (0.40) TNFPDK2BACE1MAPK11MAPK14
SCHEMBL1102962 0.95 TNF (0.40) TNFPDK2CA12CA1CA2
SCHEMBL1103626 0.94 TNF (0.39) TNFPDK2CA12CA1CA2
SCHEMBL1103665 0.93 TNF (0.40) TNFPDK2CA12CA1CA2
SCHEMBL1103679 0.93 TNF (0.40) TNFPDK2CA12CA1CA2
SCHEMBL1102965 0.92 TNF (0.39) TNFPDK2BACE1MAPK11MAPK14
SCHEMBL1102536 0.92 PDK2 (0.43) TNFPDK2
SCHEMBL1103666 0.91 TNF (0.39) TNFPDK2BACE1MAPK11MAPK14
SCHEMBL1103689 0.90 CYP11B1 (0.35) TNFPDK2BACE1SLC22A12
SCHEMBL1103673 0.90 CYP11B1 (0.35) TNFPDK2BACE1SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190319194-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-10-17 US disclosed
US-20160149139-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-05-26 US disclosed
US-20160149139-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-05-26 US disclosed
US-20160104847-A1 NOVEL COMPOUNDS AND USES IN DEVICES UNIVERSAL DISPLAY CORPORATION 2016-04-14 US disclosed
US-20160104847-A1 NOVEL COMPOUNDS AND USES IN DEVICES UNIVERSAL DISPLAY CORPORATION 2016-04-14 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-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 (2 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 3803/4885PDK2 1930/4885CA12 2242/4885
US-20160104847-A1 NOVEL COMPOUNDS AND USES IN DEVICES TERT, UACA, TXN TNF 241/4885PDK2 3633/4885CA12 725/4885

“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.