SCHEMBL12460923

SCHEMBL12460923

CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ PDE5A O76074 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL24255845 0.94 PDK2 (0.36) PDK2L3MBTL1TSHRADORA3ALOX15
SCHEMBL20023682 0.94 PDK2 (0.36) PDK2L3MBTL1TSHRADORA3ALOX15
SCHEMBL12072916 0.94 L3MBTL1 (0.36) PDK2L3MBTL1TSHRADORA3ALOX15
SCHEMBL24255866 0.94 PDK2 (0.38) PDK2L3MBTL1TSHRADORA3ALOX15
SCHEMBL12460471 0.94 L3MBTL1 (0.36) PDK2L3MBTL1TSHRADORA3ALOX15
SCHEMBL17227653 0.93 L3MBTL1 (0.37) PDK2L3MBTL1TSHRADORA3ALOX15
SCHEMBL12460468 0.92 MAPT (0.35) PDK2L3MBTL1TSHRADORA3ALOX15
SCHEMBL12072912 0.92 L3MBTL1 (0.34) PDK2L3MBTL1TSHRADORA3ALOX15
SCHEMBL14208853 0.91 PDK2 (0.34) PDK2
SCHEMBL20023694 0.89 PDK2 (0.42) PDK2L3MBTL1ALDH1A1MAPTHPGD

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-9496504-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-15 — — US disclosed
US-9496504-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2016-11-15 — — US disclosed
US-20120305851-A1 Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2012-12-06 — — US disclosed
US-20120305851-A1 Materials for Organic Electroluminescent Devices MERCK PATENT GMBH (DE) 2012-12-06 — — US disclosed
WO-2011085781-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2011-07-21 — — 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-20120305851-A1 Materials for Organic Electroluminescent Devices L1CAM, EFNA1, EPCAM PDK2 1059/4885L3MBTL1 2206/4885TSHR 4797/4885

“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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