SCHEMBL1102636

SCHEMBL1102636

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4cnccc34)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.38
TNF P01375 1/20 0.36
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
TDP1 Q9NUW8 7/20 0.34
TDP2 O95551 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ACHE P22303 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
IKBKB O14920 1/20 0.33
AURKA O14965 1/20 0.33
CHUK O15111 1/20 0.33
PIM1 P11309 1/20 0.33
TOP1 P11387 1/20 0.33
GABRA1 P14867 1/20 0.33
IDO1 P14902 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
SCHEMBL1102573 0.93 TNF (0.41) PDK2TNFCDK4CCND1TDP1
SCHEMBL1102833 0.93 TNF (0.41) PDK2TNFKDM4EALDH1A1HPGD
SCHEMBL12887008 0.88 KDM4E (0.35) PDK2TNFKDM4EMAPTKMT2A
SCHEMBL1102748 0.87 CYP11B1 (0.37) PDK2TNFTDO2CYP1A2CYP17A1
SCHEMBL12887240 0.80 SLC22A12 (0.36) TNFKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL12886869 0.80 TNF (0.35) PDK2TNFKDM4EALDH1A1HPGD
SCHEMBL1102783 0.80 PDK2 (0.38) PDK2TNFTDO2
SCHEMBL1102682 0.80 PDK2 (0.38) PDK2TNFCDK4CCND1TDP1
SCHEMBL1102602 0.80 PDK2 (0.38) PDK2TNFTDO2
SCHEMBL1102624 0.80 TNF (0.41) PDK2TNFCDK4CCND1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10950803-B2 Compounds and uses in devices UNIVERSAL DISPLAY CORPORATION (US) 2021-03-16 US disclosed
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
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 (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 PDK2 1930/4885TNF 3803/4885CDK4 1577/4885
US-20160104847-A1 NOVEL COMPOUNDS AND USES IN DEVICES TERT, UACA, TXN PDK2 3633/4885TNF 241/4885CDK4 490/4885

“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.