SCHEMBL4210071

SCHEMBL4210071

CC(C)(C)OC(=O)N(CCOCCOCc1ccccc1)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.62
MMP12 P39900 1/20 0.62
L3MBTL1 Q9Y468 4/20 0.36
NR1I2 O75469 4/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL2276819 0.96 PRKCA (0.58) PRKCAMMP12L3MBTL1NR1I2CYP3A4
SCHEMBL2278834 0.94 PRKCA (0.55) PRKCAMMP12L3MBTL1NR1I2CYP3A4
SCHEMBL4212003 0.93 PRKCA (0.65) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2278835 0.92 PRKCA (0.52) PRKCAMMP12L3MBTL1NR1I2CYP3A4
SCHEMBL4208318 0.91 PRKCA (0.62) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3682090 0.87 PRKCA (0.59) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2277012 0.86 PRKCA (0.56) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL4208637 0.86 PRKCA (0.65) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL4211262 0.85 PRKCA (0.64) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL2277965 0.85 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785425-B2 11β-hydroxyandrosta-4-ene-3-ones SUN PHARMA ADVANCED RESEARCH COMPANY LTD. 2014-07-22 US disclosed
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES SUN PHARMA ADVANCE RESEARCH COMPANY (IN) 2009-02-26 US disclosed
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 (2 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 2067/4885L3MBTL1 1024/4885
US-20090054388-A1 NOVEL 11 BETA-HYDROXYANDROSTA-4-ENE-3-ONES HSD11B1, HSD3B1, HSD3B2 PRKCA 1840/4885MMP12 587/4885L3MBTL1 3970/4885

“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.