SCHEMBL11941365

SCHEMBL11941365

C=CC(=O)CC(C)(C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
LMNA P02545 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
SCHEMBL4809291 0.79
SCHEMBL10042795 0.79 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL588499 0.78
SCHEMBL17212823 0.77
SCHEMBL18431575 0.75
SCHEMBL14773086 0.73 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL11941366 0.73
SCHEMBL24638102 0.72 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL23863717 0.71 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4CYP2C9CYP2C19
SCHEMBL5975289 0.71 TET2 (0.54) ALDH1A1TSHRCYP3A4CYP2C9CYP2C19

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-20120190614-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2012-07-26 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-20120190614-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ALDH1A1 1344/4885TSHR 4633/4885CYP3A4 275/4885

“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.