SCHEMBL12116386

SCHEMBL12116386

CC1(C)c2cc(C(=O)c3ccccc3)ccc2-c2cc3c(cc21)c1ccc(C(=O)c2ccccc2)cc1n3-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ MAT2A P31153 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RARB P10826 1/20 0.35

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
SCHEMBL12116382 0.94 CNR2 (0.43) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL12117341 0.93 PDK2 (0.43) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL12116393 0.88 BCL2 (0.39) CNR2L3MBTL1TDP1MAPT
SCHEMBL12117351 0.87 PDK2 (0.42) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL2603514 0.85 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL13780984 0.83 PDK2 (0.40) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL12117427 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GLACNR2MAT2A
SCHEMBL802450 0.82 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL14681768 0.82 PDK2 (0.46) PDK2ALDH1A1SMN1; SMN2GLACNR2
SCHEMBL803044 0.81 PDK2 (0.38) PDK2ALDH1A1SMN1; SMN2GLACNR2

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
US-9475792-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2016-10-25 — — US disclosed
US-9475792-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2016-10-25 — — US disclosed
US-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — US disclosed
US-20110272684-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — US disclosed
US-20110272684-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — US disclosed
US-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 — — US disclosed
WO-2010083873-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-07-29 — — WO disclosed
WO-2010083872-A2 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-07-29 — — 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 (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-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, SLCO2A1, SLCO2B1 PDK2 3092/4885ALDH1A1 975/4885SMN1; SMN2 4280/4885
US-20110272684-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, SLCO2A1, SLCO1A2 PDK2 2096/4885ALDH1A1 535/4885SMN1; SMN2 3877/4885

“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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