SCHEMBL6522464

SCHEMBL6522464

C=C(C(=O)O)C(C(=O)O)(C(C)C(=O)OC1CCCC1)C(C)C(=O)OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.33
CYP2D6 P10635 2/20 0.32
HTT P42858 1/20 0.32
EPHX1 P07099 2/20 0.32
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
ANPEP P15144 2/20 0.31
LTA4H P09960 1/20 0.31
LAP3 P28838 1/20 0.31
NPEPPS P55786 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
NAAA Q02083 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6522706 0.98 CYP19A1 (0.40) CYP19A1L3MBTL1CYP2D6HTTEPHX1
SCHEMBL6514845 0.75 SMN1; SMN2 (0.33)
SCHEMBL22615828 0.74 CYP19A1 (0.44) CYP19A1L3MBTL1CYP2D6HTTEPHX1
SCHEMBL6518789 0.72 ALDH1A1 (0.32)
SCHEMBL6522152 0.72 CYP19A1 (0.44) CYP19A1L3MBTL1CYP2D6HTTEPHX1
SCHEMBL6522160 0.72 CYP19A1 (0.44) CYP19A1L3MBTL1CYP2D6HTTEPHX1
SCHEMBL8984845 0.70 CYP19A1 (0.53) CYP19A1L3MBTL1HTTEPHX1NAAA
SCHEMBL6520408 0.70 CYP19A1 (0.46) CYP19A1L3MBTL1CYP2D6HTTEPHX1
SCHEMBL6520398 0.70 CYP19A1 (0.46) CYP19A1L3MBTL1CYP2D6HTTEPHX1
SCHEMBL25404680 0.69 CYP19A1 (0.47) CYP19A1L3MBTL1CYP2D6HTTEPHX1

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 CYP19A1 2315/4885L3MBTL1 1615/4885CYP2D6 3383/4885

“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.