SCHEMBL25752839

SCHEMBL25752839

CC(C)c1cccc(N2C[C@@H](C)[C@@H](C)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
HRH3 Q9Y5N1 1/20 0.44
GRM2 Q14416 1/20 0.40
RXRA P19793 6/20 0.39
GRIN1 Q05586 6/20 0.39
GRIN2B Q13224 6/20 0.39
HDAC4 P56524 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MDM4 O15151 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TYR P14679 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL27405160 0.85 NOTUM (0.51) NOTUMHRH3GRM2RXRAGRIN1
SCHEMBL27405162 0.85 NOTUM (0.51) NOTUMHRH3GRM2RXRAGRIN1
SCHEMBL27405113 0.85 NOTUM (0.51) NOTUMHRH3GRM2RXRAGRIN1
SCHEMBL26498531 0.81 NOTUM (0.51) NOTUMHRH3GRM2RXRAGRIN1
SCHEMBL26498532 0.81 NOTUM (0.55) NOTUMHRH3GRM2RXRAGRIN1
SCHEMBL22187756 0.81 NOTUM (0.51) NOTUMHRH3GRM2
SCHEMBL19702011 0.81 NOTUM (0.51) NOTUMHRH3GRM2KCNH2
SCHEMBL19710830 0.81 NOTUM (0.51) NOTUMHRH3GRM2RXRAGRIN1
SCHEMBL16019525 0.81 NOTUM (0.56) NOTUMHRH3ALDH1A1KDM4EMAPT
SCHEMBL19702013 0.80 BPTF (0.57) NOTUMHRH3

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-20230217807-A1 HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-06 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-20230217807-A1 HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, CYP1A1, CYP1B1 NOTUM 2672/4885HRH3 1626/4885GRM2 1833/4885

“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.