SCHEMBL14198532

SCHEMBL14198532

CCC(CC)COC(=O)C(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
PRKCA P17252 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
HMGCR P04035 2/20 0.33
CA2 P00918 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
CA1 P00915 1/20 0.31
LMNA P02545 1/20 0.30
MMP8 P22894 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
SCHEMBL13741592 0.89 CYP3A4 (0.45) TSHRCYP3A4TDP1ATMPRKCA
SCHEMBL13829150 0.86 PRKCA (0.43) TSHRCYP3A4TDP1ATMPRKCA
SCHEMBL107012 0.86 CYP3A4 (0.58) TSHRCYP3A4TDP1ATMCA2
SCHEMBL2754966 0.84 CYP3A4 (0.53) TSHRCYP3A4TDP1ATMCA2
SCHEMBL13686673 0.83 PRKCA (0.52) TSHRCYP3A4TDP1ATMPRKCA
SCHEMBL8988305 0.82 MAPT (0.42) PRKCACYP4F2CYP4A11HMGCRMMP8
SCHEMBL8986670 0.82 HMGCR (0.41) PRKCACYP4F2CYP4A11HMGCRLMNA
SCHEMBL14769605 0.81 PRKCA (0.37) PRKCACYP4F2CYP4A11HMGCRMMP8
SCHEMBL17898146 0.81 PRKCA (0.37) PRKCACYP4F2CYP4A11HMGCRLMNA
SCHEMBL12135548 0.81 HMGCR (0.40) PRKCACYP4F2CYP4A11HMGCRLMNA

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-20170015659-A1 Prodrugs of NH-Acidic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-01-19 US disclosed
US-20080081290-A1 RESIST COMPOSITION, RESIN FOR USE IN THE RESIST COMPOSITION, COMPOUND FOR USE IN THE SYNTHESIS OF THE RESIN, AND PATTERN-FORMING METHOD USING THE RESIST COMPOSITION FUJIFILM CORPORATION (JP) 2008-04-03 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-20170015659-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 TSHR 3738/4885CYP3A4 733/4885TDP1 3433/4885

“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.