SCHEMBL20162275

SCHEMBL20162275

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.43
TTR P02766 1/20 0.43
JUN P05412 1/20 0.43
NR3C1 P04150 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 5/20 0.41
ALOX12 P18054 2/20 0.41
LDHA P00338 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
SMPD1 P17405 1/20 0.39
MMP1 P03956 1/20 0.39
CYP3A4 P08684 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37

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
SCHEMBL20162271 0.90 FOS (0.46) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20162253 0.87 PPARG (0.47) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20395656 0.85 SMN1; SMN2 (0.41) SMN1; SMN2ALOX15LDHAKDM4ECYP3A4
SCHEMBL168609 0.84 FOS (0.63) FOSTTRJUNNR3C1HSD17B1
SCHEMBL935389 0.81 HSD17B2 (0.56) FOSTTRJUNNR3C1HSD17B1
SCHEMBL934771 0.81 FOS (0.58) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20162233 0.80 LMNA (0.54)
SCHEMBL20395694 0.78 LMNA (0.46) SMN1; SMN2SMPD1CYP3A4
SCHEMBL20162252 0.76 TOP2A (0.48) FOSTTRJUNNR3C1HSD17B1
SCHEMBL20162240 0.74 CYP2D6 (0.39) SMN1; SMN2ALOX15LDHAKDM4ECYP3A4

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 FOS 43/4885TTR 682/4885JUN 756/4885

“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.