SCHEMBL12116325

SCHEMBL12116325

Cn1c2cc(N(c3ccccc3)c3ccccc3)ccc2c2cc3c(cc21)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ GLA P06280 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12116330 0.94 GPR3 (0.39) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL12116324 0.90 ALK (0.34) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL12116328 0.88 PDK2 (0.30) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL12116293 0.88 KDM4E (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL12116329 0.87 GPR3 (0.37) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL21919154 0.86 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL15582870 0.86 — —
SCHEMBL12116321 0.85 KIF11 (0.40) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL11922025 0.85 RXRA (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL11922081 0.84 RXRA (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434877-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-09-06 — — US disclosed
US-9434877-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2016-09-06 — — US disclosed
US-20120326141-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-12-27 — — US disclosed
US-20120326141-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2012-12-27 — — US disclosed
US-20110272685-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

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-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, SLCO2A1, SLCO2B1 KDM4E 3857/4885ALDH1A1 975/4885HPGD 1691/4885

“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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