SCHEMBL4211037

SCHEMBL4211037

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@H](OCC1CCCN1Cc1ccccc1)COc1ccccc1-3

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.58
MMP12 P39900 1/20 0.58
FAAH O00519 4/20 0.37
NR1I2 O75469 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRKG1 Q13976 1/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
SCN9A Q15858 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
KRAS P01116 1/20 0.33
CHEK2 O96017 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
SCHEMBL2277169 0.93 PRKCA (0.52) PRKCAMMP12FAAHNR1I2CYP3A4
SCHEMBL2277175 0.91 PRKCA (0.49) PRKCAMMP12FAAHNR1I2CYP3A4
SCHEMBL4213234 0.89 PRKCA (0.57) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3685264 0.86 PRKCA (0.59) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2281723 0.86 PRKCA (0.59) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL4223402 0.84 PRKCA (0.57) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3685055 0.84 PRKCA (0.57) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL4209891 0.83 PRKCA (0.61) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2277252 0.83 PRKCA (0.49) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2276552 0.81 PRKCA (0.54) PRKCAMMP12NR1I2CYP3A4CYP2C9

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-20090048239-A1 Therapeutic compounds MSD ITALIA S.R.L. (IT) 2009-02-19 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-20090048239-A1 Therapeutic compounds RRP1B, RCE1, CTSZ PRKCA 4250/4885MMP12 2067/4885FAAH 2031/4885

“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.