SCHEMBL13965952

SCHEMBL13965952

CC1(C)c2ccccc2-c2cc3c(cc21)c1ncccc1n3-c1nc(-c2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 7/20 0.38
▸ MAPT P10636 4/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PDE4A P27815 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ DHODH Q02127 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL13965878 0.91 ABCG2 (0.31) TOP1
SCHEMBL13965950 0.87 — —
SCHEMBL1079319 0.86 MAPT (0.34) MAPTMAPK1NPSR1L3MBTL1HTT
SCHEMBL19104482 0.84 MAPT (0.33) MAPTMAPK1NPSR1L3MBTL1HTT
SCHEMBL16978534 0.84 MAPT (0.33) MAPTMAPK1NPSR1L3MBTL1HTT
SCHEMBL15625655 0.84 MAPT (0.33) MAPTMAPK1NPSR1L3MBTL1HTT
SCHEMBL13965872 0.84 TOP1 (0.33) TOP1
SCHEMBL13965868 0.84 PGR (0.34) MAPK1L3MBTL1KDM4EHPGDTSHR
SCHEMBL15625656 0.83 KDM4E (0.35) MAPTMAPK1NPSR1L3MBTL1HTT
SCHEMBL13965873 0.83 PDK2 (0.36) TOP1

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-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-22 — — US disclosed
US-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2012-11-22 — — 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-20120292603-A1 Heterocyclic compound, organic light-emitting device including the heterocyclic compound, and flat display device including the organic light-emitting device DDT, SUN2, CYP1B1 TOP1 2547/4885MAPT 1285/4885MAPK1 1411/4885

“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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