SCHEMBL31162467

SCHEMBL31162467

CC(C)(C)c1cc(Nc2ccc(Nc3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
HDAC3 O15379 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TDO2 P48775 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
G6PD P11413 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX12 P18054 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL24137667 0.95 TSHR (0.42) GABRA1GABRB2HDAC3HDAC6TDO2
SCHEMBL1336759 0.92 GABRA1 (0.50) GABRA1GABRB2HDAC3HDAC6TDO2
SCHEMBL30690879 0.89 HDAC3 (0.39) GABRA1GABRB2HDAC3HDAC6TDO2
SCHEMBL22165463 0.89 HDAC3 (0.39) GABRA1GABRB2HDAC3HDAC6TDO2
SCHEMBL25059980 0.89 MAPT (0.48) GABRA1GABRB2HDAC3HDAC6TDO2
SCHEMBL22356841 0.89 HSD17B10 (0.52) L3MBTL1GAAMEN1KMT2ATDP1
SCHEMBL31584210 0.86 RXRA (0.43) L3MBTL1GAAMEN1KMT2ATDP1
SCHEMBL5396983 0.85 TSHR (0.46) HDAC3HDAC6MEN1KMT2AMAPK1
SCHEMBL22050035 0.84 ALDH1A1 (0.56) L3MBTL1GAAMEN1KMT2ATDP1
SCHEMBL20718514 0.83 ALDH1A1 (0.41) L3MBTL1GAAMEN1G6PDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240341186-A1 ORGANIC COMPOUND AND LIGHT-EMITTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-10-10 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-20240341186-A1 ORGANIC COMPOUND AND LIGHT-EMITTING DEVICE CCNL2, ARL1, GRK1 GABRA1 3731/4885GABRB2 4318/4885HDAC3 2646/4885

“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.