SCHEMBL13423255

SCHEMBL13423255

O=C(c1ccc2c(c1)[C@]1(c3ccccc3-2)c2ccccc2-c2c1c1c(c3c2[C@@]2(c4ccccc4-c4ccc(C(=O)c5ccccc5-c5ccccc5)cc42)c2ccccc2-3)[C@@]2(c3ccccc3-c3ccc(C(=O)c4ccccc4-c4ccccc4)cc32)c2ccccc2-1)c1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 9/20 0.43
▸ CYP2C8 P10632 2/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ HNF4A P41235 1/20 0.40
▸ BCAT2 O15382 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CDC25B P30305 2/20 0.37
▸ CDC25A P30304 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL13423248 1.00 PDK2 (0.43) PDK2CYP2C8MAPK13MAPK12MAPK11
SCHEMBL29307110 0.91 PDK2 (0.48) PDK2CYP2C8MAPK13MAPK12MAPK11
SCHEMBL14096680 0.87 ALDH1A1 (0.40) PDK2CYP2C8MAPK13MAPK12MAPK11
SCHEMBL13423252 0.85 PDK2 (0.58) PDK2CYP2C8MEN1KMT2AATM
SCHEMBL13423232 0.85 PDK2 (0.58) PDK2CYP2C8MEN1KMT2AATM
SCHEMBL13423257 0.85 PDK2 (0.58) PDK2CYP2C8MEN1KMT2AATM
SCHEMBL13423240 0.85 PDK2 (0.50) PDK2ATMTDP1
SCHEMBL13423247 0.85 PDK2 (0.43) PDK2MAPK14MEN1KMT2AMAPT
SCHEMBL13423246 0.84 PDK2 (0.57) PDK2CYP2C8MEN1KMT2AATM
SCHEMBL13423253 0.84 BCL2 (0.44) PDK2MEN1KMT2AMAPTCDC25B

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-7683229-B2 truxene and isotruxene derivatives, in particular spirotruxene and spiroisotruxene derivatives; use thereof in organic electronic devices, in particular organic electroluminescent devices MERCK PATENT GMBH (DE) 2010-03-23 — — US disclosed
US-20080093980-A1 Organic Electroluminescent Device MERCK PATENT GMBH (DE) 2008-04-24 — — 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 (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-20080093980-A1 Organic Electroluminescent Device OXER1, NR3C2, OXTR PDK2 921/4885CYP2C8 1976/4885MAPK13 2255/4885

“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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