SCHEMBL23776249

SCHEMBL23776249

CC(C)c1cc2ccccc2c2sc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
GPR3 P46089 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 2/20 0.36
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NQO1 P15559 1/20 0.35
NQO2 P16083 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HCRTR1 O43613 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.34

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
SCHEMBL19257818 0.87 MAPT (0.40) MAPTTNKSTNKS2GPR3L3MBTL1
SCHEMBL26380615 0.78 MAPT (0.46) MAPTTNKSTNKS2GPR3L3MBTL1
SCHEMBL4158914 0.76 TRPM4 (0.48) MAPTTNKSTNKS2GPR3L3MBTL1
SCHEMBL24295940 0.76 GPR3 (0.41) MAPTTNKSTNKS2GPR3L3MBTL1
SCHEMBL15003435 0.75 GPR3 (0.40) MAPTTNKSTNKS2GPR3L3MBTL1
SCHEMBL15003463 0.75 PTPN1 (0.46) MAPTTNKSTNKS2GPR3L3MBTL1
SCHEMBL24659179 0.74 TNKS (0.36) MAPTTNKSTNKS2GPR3L3MBTL1
SCHEMBL15003530 0.74 MAPT (0.42) MAPTTNKSTNKS2GPR3L3MBTL1
SCHEMBL25993599 0.74 GPR3 (0.40) MAPTTNKSTNKS2GPR3L3MBTL1
SCHEMBL23776181 0.73 CYP1A1 (0.40) L3MBTL1ATMALDH1A1RAB9AHPGD

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-20210253586-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-08-19 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 (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-20210253586-A1 A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TERT, TELO2, RIF1 MAPT 2546/4885TNKS 2361/4885TNKS2 1463/4885

“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.