SCHEMBL6519872

SCHEMBL6519872

O=C(O)CC(C(=O)O)=C(CC(=O)CCc1ccccc1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP2C19 P33261 1/20 0.52
EPHX2 P34913 3/20 0.47
MMP12 P39900 1/20 0.47
EPHX1 P07099 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
ALOX12 P18054 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KEAP1 Q14145 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CCR5 P51681 1/20 0.40

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
SCHEMBL6515143 0.85 EPHX2 (0.46) ALDH1A1CYP2C19EPHX2TAAR1ALOX12
SCHEMBL9355898 0.82 EPHX2 (0.51) ALDH1A1CYP2C19EPHX2EPHX1TAAR1
SCHEMBL6521052 0.82 ALDH1A1 (0.54) ALDH1A1CYP2C19EPHX2MMP12EPHX1
SCHEMBL6521038 0.82 ALDH1A1 (0.54) ALDH1A1CYP2C19EPHX2MMP12EPHX1
SCHEMBL9404055 0.79 ALDH1A1 (0.61) ALDH1A1CYP2C19EPHX2MMP12EPHX1
SCHEMBL6515215 0.79 ERCC5 (0.47) EPHX2TAAR1SMN1; SMN2LMNAKDM4E
SCHEMBL6514911 0.77 ALDH1A1 (0.44) ALDH1A1CYP2C19EPHX1SMN1; SMN2L3MBTL1
SCHEMBL6516332 0.77 ERCC5 (0.49) ALDH1A1CYP2C19TAAR1SMN1; SMN2KDM4E
SCHEMBL6513804 0.75 RAB9A (0.46) ALDH1A1EPHX2SMN1; SMN2KDM4ENPC1
SCHEMBL6518902 0.75 NAAA (0.34) ALDH1A1EPHX1SMN1; SMN2L3MBTL1TSHR

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
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 ALDH1A1 1254/4885CYP2C19 2771/4885EPHX2 661/4885

“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.