SCHEMBL4213697

SCHEMBL4213697

CN(CCNC(=O)OC(C)(C)C)[C@H]1COc2c(OCc3ccccc3)cccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.57
MMP12 P39900 1/20 0.57
GHSR Q92847 5/20 0.34
PTGER1 P34995 4/20 0.34
NR1I2 O75469 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KLK7 P49862 1/20 0.31
KLK5 Q9Y337 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL2280934 0.95 PRKCA (0.51) PRKCAMMP12GHSRNR1I2CYP3A4
SCHEMBL2277222 0.92 PRKCA (0.59) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2280938 0.92 PRKCA (0.53) PRKCAMMP12GHSRNR1I2CYP3A4
SCHEMBL2278012 0.90 PRKCA (0.54) PRKCAMMP12NR1I2CNR2
SCHEMBL3684086 0.89 PRKCA (0.60) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3814277 0.87 PRKCA (0.48) PRKCAMMP12PTGER1NR1I2CYP3A4
SCHEMBL393735 0.87 PRKCA (0.75) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2276844 0.87 PRKCA (0.52) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2280880 0.86 PRKCA (0.56) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2278541 0.84 PRKCA (0.47) PRKCAMMP12NR1I2CNR2

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 2067/4885GHSR 3166/4885

“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.