SCHEMBL714955

SCHEMBL714955

COc1cccc(C=C(C(=O)O)C(=O)O)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.59
TRPM8 Q7Z2W7 1/20 0.56
IKBKB O14920 1/20 0.55
CHUK O15111 1/20 0.55
IKBKG Q9Y6K9 1/20 0.55
LMNA P02545 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
AKT1 P31749 1/20 0.49
CYP1A1 P04798 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
ALOX5 P09917 1/20 0.49
PRMT1 Q99873 1/20 0.49
TP53 P04637 1/20 0.48
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
PLIN1 O60240 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL7415408 0.92 NFE2L2 (0.55) NFE2L2TRPM8IKBKBCHUKIKBKG
SCHEMBL20970610 0.85 NFE2L2 (0.58) NFE2L2TRPM8IKBKBCHUKIKBKG
SCHEMBL14462725 0.85 NFE2L2 (0.59) NFE2L2TRPM8IKBKBCHUKIKBKG
SCHEMBL998236 0.84 LMNA (0.64) NFE2L2LMNAKDM4EKMT2APKM
SCHEMBL28955118 0.81 NFE2L2 (0.54) NFE2L2TRPM8IKBKBCHUKIKBKG
SCHEMBL7311454 0.81 KMT2A (0.54) NFE2L2TRPM8LMNAKDM4EHPGD
SCHEMBL10666690 0.81 NFE2L2 (0.55) NFE2L2TRPM8IKBKBCHUKIKBKG
SCHEMBL7814194 0.80 KDM4E (0.76) NFE2L2TRPM8LMNAKDM4EHPGD
SCHEMBL7814195 0.80 KDM4E (0.76) NFE2L2TRPM8LMNAKDM4EHPGD
SCHEMBL9493170 0.79 CA12 (0.52) NFE2L2LMNAKDM4EHPGDCYP1A1

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
US-20120052028-A1 CINNAMIC ACID ASCORBATES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-01 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 (2 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 NFE2L2 114/4885TRPM8 3441/4885IKBKB 3000/4885
US-20120052028-A1 CINNAMIC ACID ASCORBATES PROC, C1S, NISCH NFE2L2 70/4885TRPM8 1681/4885IKBKB 1274/4885

“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.