SCHEMBL17858782

SCHEMBL17858782

c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(Nc4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.45
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ AR P10275 1/20 0.35
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ APP P05067 1/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL24969309 0.95 PDK2 (0.42) PDK2MEN1KMT2APOLBMAPT
SCHEMBL20346073 0.92 PDK2 (0.41) PDK2MEN1KMT2APOLBMAPT
SCHEMBL29638156 0.90 ALDH1A1 (0.39) PDK2MEN1KMT2APOLBMAPT
SCHEMBL28738480 0.90 ALDH1A1 (0.39) PDK2MEN1KMT2APOLBMAPT
SCHEMBL24968679 0.89 PDK2 (0.39) PDK2MEN1KMT2APOLB
SCHEMBL17805147 0.88 PDK2 (0.50) PDK2MEN1KMT2APOLBMAPT
SCHEMBL29634238 0.88 PDK2 (0.50) PDK2MEN1KMT2APOLBMAPT
SCHEMBL20435268 0.88 PDK2 (0.50) PDK2MEN1KMT2APOLBMAPT
SCHEMBL15003689 0.88 PDK2 (0.50) PDK2MEN1KMT2APOLBMAPT
SCHEMBL26006826 0.87 PDK2 (0.43) PDK2MEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10944057-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2021-03-09 — — US disclosed
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 — — 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-10944057-B2 Compound, material for organic electroluminescence devices, organic electroluminescence device, and electronic equipment OR10J3, KCNA5, KCNK10 PDK2 2045/4885MEN1 796/4885KMT2A 525/4885
US-20160176801-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICES, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT OR10J3, KCNA5, KCNK10 PDK2 2045/4885MEN1 796/4885KMT2A 525/4885

“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.

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