SCHEMBL4985960

SCHEMBL4985960

CC(C)(C)C/C=C/CC(C)(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 2/20 0.40
PTPRC P08575 1/20 0.40
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SYK P43405 1/20 0.38
HTR2C P28335 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
SCHEMBL4985966 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HCAR2KMT2AMAPK1
SCHEMBL4987600 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HCAR2KMT2AMAPK1
SCHEMBL4005645 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HCAR2KMT2AMAPK1
SCHEMBL3998923 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HCAR2KMT2AMAPK1
SCHEMBL28451836 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HCAR2KMT2AMAPK1
SCHEMBL4986899 0.80 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1CHRM2CHRM4
SCHEMBL4001984 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL4001990 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL14296517 0.77 HCAR2 (0.61) ALDH1A1SMN1; SMN2HCAR2KMT2AMAPK1
SCHEMBL17756088 0.77 HCAR2 (0.61) ALDH1A1SMN1; SMN2HCAR2KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 US disclosed
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBVIE INC. 2005-05-19 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-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone POLRMT, RNASE1, RNGTT ALDH1A1 311/4885SMN1; SMN2 3696/4885HCAR2 4587/4885

“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.