SCHEMBL25554156

SCHEMBL25554156

Cc1ccc([C@H]2C[C@@H](O)C2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MGLL Q99685 3/20 0.39
GRM7 Q14831 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
BRCA1 P38398 1/20 0.37
HSD17B10 Q99714 1/20 0.37
UGT2B17 O75795 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
LMNA P02545 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
SCHEMBL23873502 0.80 CHRNB2 (0.43) CHRNB2CHRNA4TP53TDP1MGLL
SCHEMBL15567031 0.79 CHRNB2 (0.44) CHRNB2CHRNA4TP53TDP1GRM7
SCHEMBL25026055 0.78 CHRNB2 (0.47) CHRNB2CHRNA4HTR2AHTR2CHTR2B
SCHEMBL25025538 0.78 CHRNB2 (0.47) CHRNB2CHRNA4HTR2AHTR2CHTR2B
SCHEMBL30234302 0.78 CHRNB2 (0.47) CHRNB2CHRNA4HTR2AHTR2CHTR2B
SCHEMBL23908052 0.77 CHRNB2 (0.41) CHRNB2CHRNA4TP53TDP1MGLL
SCHEMBL29936479 0.77 CHRNB2 (0.41) CHRNB2CHRNA4TP53TDP1MGLL
SCHEMBL11295388 0.75 PSMB5 (0.45) CHRNB2CHRNA4TP53TDP1GRM7
SCHEMBL31389703 0.75 HTR2C (0.52) MGLLHTR2AHTR2CHTR2B
SCHEMBL1128140 0.73 PSMB5 (0.47) CHRNB2CHRNA4GRM7KMT2AMEN1

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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-06-01 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-20230167057-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CHRNB2 1729/4885CHRNA4 2763/4885TP53 10/4885

“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.