SCHEMBL21364024

SCHEMBL21364024

CCc1cccc(CC)c1-c1cc(-c2c3ccccc3c(-c3cnnc(-c4c(CC)cccc4CC)c3)c3ccccc23)ccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 8/20 0.36
GABRB3 P28472 8/20 0.36
GABRA5 P31644 8/20 0.36
GABRA3 P34903 8/20 0.36
GABRA1 P14867 7/20 0.36
KDM4C Q9H3R0 3/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
PHF8 Q9UPP1 2/20 0.33
GRM5 P41594 1/20 0.33
CCNT1 O60563 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
C5AR1 P21730 2/20 0.31
CCNB2 O95067 1/20 0.31

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
SCHEMBL21363960 0.89 KDM4C (0.38) KDM4CALOX5APFEN1PHF8GRM5
SCHEMBL21363956 0.70 GRM5 (0.40) GRM5
SCHEMBL9613219 0.69 PRKDC (0.39) CYP3A4CYP2C9CDK1
SCHEMBL21364027 0.68 GRM5 (0.43) GRM5
SCHEMBL21363963 0.67 KDM4C (0.35) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL12345156 0.66 ASIC3 (0.55) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL9973738 0.66 CYP2A6 (0.58) CYP3A4CYP2C9
SCHEMBL21363955 0.66 NOS3 (0.37) ALOX5APFEN1CYP2C9
SCHEMBL18272725 0.64 ASIC3 (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL21364026 0.64 TGFBR1 (0.53) CYP3A4

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 GABRG2 4660/4885GABRB3 4583/4885GABRA5 4785/4885
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, SLC25A21, EMC2 GABRG2 4660/4885GABRB3 4583/4885GABRA5 4785/4885

“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.