SCHEMBL20162241

SCHEMBL20162241

CCOc1cc(C=C(C(=O)OC)C(=O)OC)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.62
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
ALPI P09923 1/20 0.58
ALPG P10696 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 5/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ABL1 P00519 2/20 0.53
ABCB1 P08183 1/20 0.53
BCR P11274 1/20 0.53
KLK7 P49862 1/20 0.53
ST14 Q9Y5Y6 1/20 0.53
GAA P10253 3/20 0.51
GLO1 Q04760 1/20 0.50
RAB9A P51151 1/20 0.49

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
SCHEMBL20395687 0.89 MAPT (0.52) TOP2AALDH1A1MEN1KMT2AALPI
SCHEMBL4919468 0.85 MAPT (0.70) TOP2AALDH1A1MEN1KMT2AALPI
SCHEMBL935705 0.85 MAPT (0.74) TOP2AALDH1A1MEN1KMT2AALPI
SCHEMBL20162268 0.85 ALDH1A1 (0.57) TOP2AALDH1A1MEN1KMT2AALPI
SCHEMBL20162234 0.84 MAPT (0.51) TOP2AALDH1A1MEN1KMT2AALPG
SCHEMBL7872344 0.83 MEN1 (0.70) TOP2AALDH1A1MEN1KMT2AALPI
SCHEMBL30883297 0.82 MAPT (0.58) TOP2AALDH1A1MEN1KMT2AALPI
SCHEMBL12693583 0.82 MAPT (0.58) TOP2AALDH1A1MEN1KMT2AALPI
SCHEMBL16307895 0.82 MAPT (0.74) TOP2AALDH1A1MEN1KMT2AALPI
SCHEMBL27216311 0.82 MAPT (0.61) TOP2AALDH1A1MEN1KMT2AALPI

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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
EP-3322400-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS Merck Patent GmbH (DE) 2018-05-23 EP 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-20180207080-A1 COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS LPO, CAT, GPX4 TOP2A 838/4885ALDH1A1 1313/4885MEN1 3221/4885

“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.