SCHEMBL21363959

SCHEMBL21363959

Cc1cccc(C)c1-c1cc(-c2c3ccccc3c(-c3ccnc(-c4c(C)cccc4C(C)(C)C)c3)c3ccccc23)ccn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
GRM5 P41594 2/20 0.34
ALDH1A1 P00352 2/20 0.33
TGFBR1 P36897 2/20 0.33
BRD4 O60885 1/20 0.33
MAPK10 P53779 1/20 0.33
NR1H3 Q13133 4/20 0.32
NR1H2 P55055 4/20 0.32
KIF11 P52732 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
ASIC3 Q9UHC3 1/20 0.30
CBFB Q13951 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
SCHEMBL21363956 0.89 GRM5 (0.40) GRM5ALDH1A1TGFBR1BRD4MAPK10
SCHEMBL21364027 0.82 GRM5 (0.43) GRM5ALDH1A1TGFBR1BRD4MAPK10
SCHEMBL21364094 0.77 TGFBR1 (0.40) GRM5ALDH1A1TGFBR1BRD4
SCHEMBL21364026 0.75 TGFBR1 (0.53) ALDH1A1TGFBR1BRD4MAPK10
SCHEMBL21363961 0.73 GABRA1 (0.38) GABRA1GABRB2ALDH1A1NR1H3NR1H2
SCHEMBL21363952 0.72 TGFBR1 (0.50) GRM5ALDH1A1TGFBR1BRD4MAPK10
SCHEMBL21364095 0.72 BRD4 (0.42) GRM5ALDH1A1TGFBR1BRD4
SCHEMBL28353322 0.71 CCR1 (0.55) GABRA1GABRB2ALDH1A1
SCHEMBL17173320 0.70 BRD4 (0.41) GRM5TGFBR1BRD4MAPK10
SCHEMBL21363963 0.70 KDM4C (0.35) GABRA1GABRB2TGFBR1NR1H3NR1H2

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-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-12 US disclosed
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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 (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-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device LEF1, SLC25A21, EMC2 GABRA1 4553/4885GABRB2 4403/4885GRM5 4602/4885
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, SLC25A21, EMC2 GABRA1 4553/4885GABRB2 4403/4885GRM5 4602/4885

“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.