SCHEMBL26487517

SCHEMBL26487517

CC(C)N(c1ccccc1-c1ccccc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
TACR1 P25103 2/20 0.38
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
BACE1 P56817 1/20 0.35
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CYP2A6 P11509 1/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NSD2 O96028 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL26002597 0.82 HTR6 (0.32) ALDH1A1MAPTMAPK1NSD2EGFR
SCHEMBL17974868 0.76 TACR1 (0.42) PTGS2TACR1BACE1ALDH1A1HSD17B10
SCHEMBL24359328 0.76 KMT2A (0.41) PTGS2TACR1CDC25ACDC25BBACE1
SCHEMBL24433614 0.76 TACR1 (0.42) PTGS2TACR1BACE1ALDH1A1HSD17B10
SCHEMBL20152515 0.76 CDC25B (0.40) PTGS2TACR1CDC25ACDC25BBACE1
SCHEMBL24433581 0.76 ALOX5 (0.40) MAPTSMN1; SMN2
SCHEMBL25784107 0.75 HTR7 (0.42) PTGS2TACR1CDC25ACDC25BBACE1
SCHEMBL20438386 0.75
SCHEMBL25587790 0.75 TSHR (0.36) ALDH1A1LMNAESR1
SCHEMBL23776042 0.72 ALDH1A1 (0.39) PTGS2TACR1CDC25ACDC25BBACE1

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-20230140064-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-04 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-20230140064-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, CCND3 PTGS2 3334/4885TACR1 2680/4885CDC25A 2315/4885

“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.