SCHEMBL2606548

SCHEMBL2606548

CC1(C)c2cc(C(=O)c3ccccc3)ccc2-c2cc3c(cc21)-c1c(cc(C(=O)c2ccccc2)c2ccccc12)C3(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.43
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RXRA P19793 4/20 0.36
▸ RARB P10826 3/20 0.36
▸ RARG P13631 3/20 0.36
▸ RXRB P28702 2/20 0.36
▸ RXRG P48443 2/20 0.36
▸ PBRM1 Q86U86 1/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ RARA P10276 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL353237 0.91 CYP2C8 (0.40) CYP2C8CYP2C9ATMTDP1L3MBTL1
SCHEMBL2606549 0.91 PDK2 (0.43) PDK2CYP2C8CYP2C9CNR2ATM
SCHEMBL11914299 0.83 PDK2 (0.39) PDK2CYP2C8CYP2C9CNR2RXRA
SCHEMBL12594529 0.83 CYP2C8 (0.43) PDK2CYP2C8CYP2C9CNR2ATM
SCHEMBL14318965 0.82 PDK2 (0.40) PDK2CYP2C8CYP2C9CNR2ATM
SCHEMBL14365749 0.81 CYP2C8 (0.35) CYP2C8CYP2C9RXRARARBRARG
SCHEMBL12594543 0.78 CNR2 (0.41) PDK2CYP2C8CYP2C9CNR2ATM
SCHEMBL25011572 0.78 PDK2 (0.62) PDK2CYP2C8CYP2C9CNR2ATM
SCHEMBL14073397 0.76 CNR2 (0.45) CNR2TDP1L3MBTL1MEN1KMT2A
SCHEMBL13045515 0.76 PDK2 (0.52) PDK2RXRARARBRARGRXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 — — US disclosed
US-8241763-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2012-08-14 — — US disclosed
EP-2038370-B1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 — — US disclosed
US-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2009-10-22 — — 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-20090261717-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES L1CAM, SLC26A3, SLCO4C1 PDK2 2586/4885CYP2C8 3760/4885CYP2C9 1008/4885

“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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