SCHEMBL21363963

SCHEMBL21363963

CC(C)c1cccc(C(C)C)c1-c1cc(-c2c3ccccc3c(-c3ccnc(-c4c(C(C)C)cccc4C(C)C)c3)c3ccccc23)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.35
LMNA P02545 2/20 0.35
KRAS P01116 2/20 0.34
SOS1 Q07889 2/20 0.34
TGFBR1 P36897 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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 0.79 GRM5 (0.40) TGFBR1CYP1A2PIM1ASIC3
SCHEMBL17173323 0.78 DHFR (0.37) LMNATGFBR1PIK3CAPIK3CBPIK3CG
SCHEMBL29118400 0.76 KDM4E (0.52) LMNAGABRA1GABRB2FAAHCA1
SCHEMBL21364027 0.76 GRM5 (0.43) TGFBR1CYP1A2ASIC3
SCHEMBL21363960 0.75 KDM4C (0.38) KDM4CPIK3CAPIK3CBALOX5APFEN1
SCHEMBL17173332 0.75 CRHR1 (0.34) LMNAPIK3CAPIK3CBPIK3CG
SCHEMBL12345156 0.74 ASIC3 (0.55) LMNATGFBR1GABRA1GABRG2GABRB3
SCHEMBL17173352 0.73 TGFBR1 (0.39) TGFBR1CYP1A2
SCHEMBL26264527 0.73 PDE4A (0.41) LMNA
SCHEMBL23960843 0.72 LMNA (0.41) LMNATGFBR1GABRA1GABRB2FAAH

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 KDM4C 3093/4885LMNA 639/4885KRAS 2729/4885
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, SLC25A21, EMC2 KDM4C 3093/4885LMNA 639/4885KRAS 2729/4885

“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.