SCHEMBL13323849

SCHEMBL13323849

CC(C)Oc1ccc2ccccc2c1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
NCEH1 Q6PIU2 2/20 0.56
TLR8 Q9NR97 1/20 0.40
MCHR1 Q99705 1/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP2A6 P11509 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
MEN1 O00255 1/20 0.37
FGB P02675 1/20 0.37
ALOX15 P16050 1/20 0.37
TNNI3 P19429 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 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
SCHEMBL15077329 0.83 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL27740253 0.83 MAPT (0.60) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL6286760 0.81 NCEH1 (0.60) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL3274613 0.81 MAPT (0.62) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL18686299 0.80 MAPT (0.53) MAPTCYP1A2CYP2C9CYP2C19TLR8
SCHEMBL29629320 0.80 MAPT (0.53) MAPTCYP1A2CYP2C9CYP2C19TLR8
SCHEMBL27782095 0.79 MAPT (0.55) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL10136521 0.79 NCEH1 (0.54) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL13390983 0.78 MAPT (0.58) MAPTCYP1A2CYP2C9CYP2C19NCEH1
SCHEMBL5610039 0.78 MAPT (0.63) MAPTCYP1A2CYP2C9CYP2C19NCEH1

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-7718612-B2 Pyridazinonyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-05-18 US disclosed
US-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2009-02-05 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-20090035272-A1 Pyridazinonyl Macrocyclic Hepatitis C Serine Protease Inhibitors PRSS1, SPINT2, TMPRSS4 MAPT 4248/4885CYP1A2 241/4885CYP2C9 259/4885

“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.