SCHEMBL7042230

SCHEMBL7042230

C=C(CC(=O)OC(C(=O)OCCOC)c1ccc(C)cc1)C(=O)OC(C(=O)OCCOC)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 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
SCHEMBL7042226 0.90 PKM (0.36) NPSR1PKMCA12CA1CA2
SCHEMBL7044014 0.82 ALDH1A1 (0.38) CYP3A4CYP2C19CYP1A2CYP2C9NPSR1
SCHEMBL7041600 0.79 CYP3A4 (0.42) CYP3A4CYP2C19CYP1A2CYP2C9NPSR1
SCHEMBL7044012 0.72 ALDH1A1 (0.38) NPSR1PKML3MBTL1MEN1LMNA
SCHEMBL6524302 0.72 CA12 (0.31) CA12CA1CA2CA9TSHR
SCHEMBL6518605 0.71 L3MBTL1 (0.42) TDP1L3MBTL1MAPTMEN1LMNA
SCHEMBL7039622 0.71 ALDH1A1 (0.41) CYP3A4CYP2C19CYP1A2CYP2C9NPSR1
SCHEMBL7041596 0.70 KEAP1 (0.40) CYP3A4CYP2C19CYP1A2CYP2C9NPSR1
SCHEMBL7040598 0.70 ACE (0.40) TSHRLMNARAB9A
SCHEMBL6524260 0.69 LMNA (0.44) TDP1L3MBTL1MAPTLMNAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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 (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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 CYP3A4 3473/4885CYP2C19 2771/4885CYP1A2 2053/4885

“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.