SCHEMBL11941368

SCHEMBL11941368

COC(=O)C/C=C/OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TET2 Q6N021 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DGAT1 O75907 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
SCHEMBL15233398 0.78
SCHEMBL821076 0.77 TSHR (0.53) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL869080 0.77 TSHR (0.53) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL869082 0.77 TSHR (0.53) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL30505577 0.74 TSHR (0.40) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL25838914 0.74 TSHR (0.40) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL11950247 0.72 TSHR (0.39) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL9442354 0.71 TSHR (0.37) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL9300921 0.71 TSHR (0.37) TSHRCYP4F2CYP4A11HSD17B10MGAM
SCHEMBL13670844 0.71 CYP4F2 (0.34) TSHRCYP4F2CYP4A11HSD17B10MGAM

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-8524760-B2 HCV protease inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2013-09-03 US disclosed
US-20120190614-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-07-26 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 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-20120190614-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC TSHR 4633/4885CYP4F2 1495/4885CYP4A11 803/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885CYP4F2 41/4885CYP4A11 50/4885

“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.