SCHEMBL4901678

SCHEMBL4901678

CC(C)OC(=O)Cc1ccc(CC(=O)OC(C)C)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.81
CYP19A1 P11511 1/20 0.53
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
KLK7 P49862 5/20 0.49
TDP1 Q9NUW8 1/20 0.47
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.43

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
SCHEMBL14010060 0.92 TSHR (0.70) TSHRCYP19A1POLBMEN1CRHBP
SCHEMBL5175026 0.92 TSHR (0.76) TSHRCYP19A1POLBMEN1CRHBP
SCHEMBL10309729 0.92 TSHR (0.70) TSHRCYP19A1POLBMEN1CRHBP
SCHEMBL9626909 0.92 TSHR (0.70) TSHRCYP19A1POLBMEN1CRHBP
SCHEMBL29197989 0.90 TSHR (0.68) TSHRCYP19A1POLBMEN1CRHBP
SCHEMBL10369206 0.90 TSHR (0.68) TSHRCYP19A1POLBMEN1KMT2A
SCHEMBL873430 0.90 TSHR (1.00) TSHRCYP19A1POLBKLK7SMN1; SMN2
SCHEMBL317876 0.89 TSHR (0.66) TSHRKMT2AKLK7TDP1SMN1; SMN2
SCHEMBL16346002 0.86 TSHR (0.62) TSHRMEN1KMT2AKLK7TDP1
SCHEMBL18504840 0.86 TSHR (0.62) TSHRCYP19A1POLBMEN1CRHBP

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
EP-1791901-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2018-03-28 EP disclosed
US-9051448-B2 Stabilization of organic materials BASF SE (DE) 2015-06-09 US disclosed
US-20080269382-A1 Stabilization of Organic Materials BASF SE (DE) 2008-10-30 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 (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-20080269382-A1 Stabilization of Organic Materials LPO, PPOX, HMOX1 TSHR 4809/4885CYP19A1 928/4885POLB 762/4885

“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.