SCHEMBL13425019

SCHEMBL13425019

CC(C)(C)c1cc2ccccc2n1-c1ccc(-n2c(C(C)(C)C)cc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 3/20 0.39
CYP19A1 P11511 5/20 0.38
NOTUM Q6P988 1/20 0.37
GAA P10253 2/20 0.36
APP P05067 1/20 0.36
ATM Q13315 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HAO1 Q9UJM8 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL15447623 0.94 ALDH1A1 (0.50) ALDH1A1TSHRHDAC10HDAC6KDM4E
SCHEMBL13425027 0.93 HDAC10 (0.39) ALDH1A1TSHRHDAC10HDAC6KDM4E
SCHEMBL13483704 0.92 HDAC10 (0.40) ALDH1A1TSHRHDAC10HDAC6KDM4E
SCHEMBL6756680 0.89 ALDH1A1 (0.41) ALDH1A1TSHRHDAC10HDAC6KDM4E
SCHEMBL13425009 0.86 HDAC10 (0.36) ALDH1A1TSHRHDAC10HDAC6KDM4E
SCHEMBL13425016 0.86 HDAC10 (0.36) ALDH1A1TSHRHDAC10HDAC6KDM4E
SCHEMBL13425041 0.85 KDM4E (0.36) ALDH1A1TSHRHDAC10HDAC6KDM4E
SCHEMBL13425058 0.84 HDAC10 (0.36) ALDH1A1TSHRHDAC10HDAC6KDM4E
SCHEMBL13425028 0.84 TP53 (0.39) ALDH1A1TSHRHDAC10HDAC6KDM4E
SCHEMBL13425020 0.83 KMT2A (0.40) ALDH1A1TSHRHDAC10HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094810-B1 ORGANIC ELECTROLUMINESCENT DEVICE AND INDOLE DERIVATIVE UDC IRELAND LTD (IE) 2017-08-09 EP disclosed
US-8337999-B2 Organic electroluminescent device including at least one layer containing an indole derivative UDC IRELAND LIMITED (IE) 2012-12-25 US disclosed
US-8337999-B2 Organic electroluminescent device including at least one layer containing an indole derivative UDC IRELAND LIMITED (IE) 2012-12-25 US disclosed
US-20100066243-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND INDOLE DERIVATIVE FUJIFILM CORPORATION (JP) 2010-03-18 US disclosed
US-20100066243-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND INDOLE DERIVATIVE FUJIFILM CORPORATION (JP) 2010-03-18 US disclosed
US-20100026174-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-02-04 US disclosed
US-20100026174-A1 ORGANIC ELECTROLUMINESCENT DEVICE FUJIFILM CORPORATION (JP) 2010-02-04 US disclosed
WO-2008066195-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND INDOLE DERIVATIVE FUJIFILM CORPORATION (JP) 2008-06-05 WO 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-20100066243-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND INDOLE DERIVATIVE IDO1, IDO2, L1CAM ALDH1A1 101/4885TSHR 1593/4885HDAC10 1020/4885

“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.