SCHEMBL20162254

SCHEMBL20162254

CCCOc1cc(C=C(C(=O)OC(C)C)C(=O)OC(C)C)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.45
STK17B O94768 2/20 0.44
TOP2A P11388 1/20 0.43
GLO1 Q04760 3/20 0.42
ABL1 P00519 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
IKBKG Q9Y6K9 1/20 0.40
KLK7 P49862 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
SMPD1 P17405 1/20 0.38
APP P05067 1/20 0.38
SNCA P37840 1/20 0.38

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
SCHEMBL20162268 0.90 ALDH1A1 (0.57) MAPTALDH1A1TOP2AGLO1ABL1
SCHEMBL20162246 0.86 PTP4A3 (0.41) MAPTSTK17BMEN1KMT2AKDM4E
SCHEMBL20395687 0.86 MAPT (0.52) MAPTALDH1A1STK17BTOP2AGLO1
SCHEMBL29601206 0.83 MAPT (0.67) MAPTALDH1A1TOP2AGLO1ABL1
SCHEMBL168150 0.83 MAPT (0.67) MAPTALDH1A1TOP2AGLO1ABL1
SCHEMBL8334220 0.81 KDM4E (0.50) MAPTALDH1A1KDM4EL3MBTL1APP
SCHEMBL8735315 0.80 MEN1 (0.48) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL20395676 0.78 LMNA (0.47) MAPTALDH1A1STK17BTOP2AGLO1
SCHEMBL2208983 0.77 MAPT (0.74) MAPTALDH1A1TOP2AGLO1ABL1
SCHEMBL10349553 0.76 ALDH1A1 (0.49) MAPTALDH1A1STK17BTOP2AGLO1

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 MAPT 1864/4885ALDH1A1 1313/4885STK17B 4374/4885

“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.