SCHEMBL17775035

SCHEMBL17775035

c1ccc2cc3c(cc2c1)[nH]c1c3ccc2c1ccc1c3cc4ccccc4cc3[nH]c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.55
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AHR P35869 1/20 0.43
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
SRC P12931 1/20 0.42
PRKACA P17612 1/20 0.42

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
SCHEMBL20659826 0.92 KIF11 (0.69) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL29402876 0.92 KIF11 (0.69) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL24806927 0.88 KIF11 (0.63) KIF11AHRHTR2BHTR5AGABRP
SCHEMBL17779364 0.86 KDM4E (0.50) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL24037102 0.86 KIF11 (0.51) KIF11KDM4EHTR2BHTR5AMPL
SCHEMBL29385786 0.85 AHR (0.56) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL10743051 0.85 AHR (0.56) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL24037093 0.84 KDM4E (0.42) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL12219479 0.83 AHR (0.61) KIF11KDM4EMEN1MAPTKMT2A
SCHEMBL19731074 0.83 AHR (0.61) KIF11KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9705094-B2 Organic semiconductor compound, organic thin film including same, and electronic device including the organic thin film SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-07-11 US disclosed
US-9705094-B2 Organic semiconductor compound, organic thin film including same, and electronic device including the organic thin film SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-07-11 US disclosed
US-20160149143-A1 ORGANIC SEMICONDUCTOR COMPOUND, ORGANIC THIN FILM INCLUDING SAME, AND ELECTRONIC DEVICE INCLUDING THE ORGANIC THIN FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-05-26 US disclosed
US-20160149143-A1 ORGANIC SEMICONDUCTOR COMPOUND, ORGANIC THIN FILM INCLUDING SAME, AND ELECTRONIC DEVICE INCLUDING THE ORGANIC THIN FILM SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-05-26 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-20160149143-A1 ORGANIC SEMICONDUCTOR COMPOUND, ORGANIC THIN FILM INCLUDING SAME, AND ELECTRONIC DEVICE INCLUDING THE ORGANIC THIN FILM SOAT1, GJA1, OR10J3 KIF11 471/4885KDM4E 824/4885MEN1 377/4885

“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.