SCHEMBL20162246

SCHEMBL20162246

CCCOc1cc(C=C(C(=O)OC(C)C)C(=O)OC(C)C)cc(OCCC)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 0.41
PTP4A2 Q12974 1/20 0.41
PTP4A1 Q93096 1/20 0.41
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
AKR1C3 P42330 1/20 0.34
PPARG P37231 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 4/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
HSD17B10 Q99714 1/20 0.33
STK17B O94768 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL20162247 0.89 PTP4A3 (0.43) PTP4A3PTP4A2PTP4A1KDM4EMEN1
SCHEMBL20162254 0.86 MAPT (0.46) KDM4EMEN1KMT2AMAPTSTK17B
SCHEMBL20162277 0.85 MAPT (0.47) ALOX5KDM4EMAPTHSD17B10LMNA
SCHEMBL2903666 0.81 PTP4A3 (0.57) PTP4A3PTP4A2PTP4A1ALOX5KDM4E
SCHEMBL23407459 0.78 ALOX5 (0.47) ALOX5KDM4EMEN1KMT2AMAPT
SCHEMBL8735315 0.78 MEN1 (0.48) KDM4EMEN1KMT2AMAPTPTGS1
SCHEMBL8334220 0.76 KDM4E (0.50) KDM4EMAPTLMNANPSR1CYP2C9
SCHEMBL20395527 0.76 ALDH1A1 (0.45) ALOX5KDM4EMEN1KMT2AHSD17B10
SCHEMBL23530158 0.75 PTP4A3 (0.54) PTP4A3PTP4A2PTP4A1KDM4EMEN1
SCHEMBL2269598 0.75 PTP4A3 (0.54) PTP4A3PTP4A2PTP4A1KDM4EMEN1

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 PTP4A3 3582/4885PTP4A2 4139/4885PTP4A1 3983/4885

“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.