SCHEMBL6580123

SCHEMBL6580123

CC(O)C(=O)OC1CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
EPHX1 P07099 2/20 0.38
NAAA Q02083 2/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
ANPEP P15144 2/20 0.35
LTA4H P09960 1/20 0.35
LAP3 P28838 1/20 0.35
NPEPPS P55786 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
HTT P42858 2/20 0.34
CYP2D6 P10635 3/20 0.34
LMNA P02545 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
THRB P10828 2/20 0.34

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
SCHEMBL2250233 0.95 CYP19A1 (0.49) CYP19A1EPHX1NAAACYP2C19L3MBTL1
SCHEMBL531407 0.93 CYP19A1 (0.51) CYP19A1EPHX1NAAACYP2C19L3MBTL1
SCHEMBL31697559 0.93 CYP19A1 (0.51) CYP19A1EPHX1NAAACYP2C19L3MBTL1
Ammonia Solution, Strong SCHEMBL11574742 0.91 CYP19A1 (0.50) CYP19A1EPHX1NAAACYP2C19L3MBTL1
SCHEMBL504438 0.91 CYP19A1 (0.50) CYP19A1EPHX1NAAACYP2C19L3MBTL1
SCHEMBL3002548 0.91
SCHEMBL23221606 0.85 RAB9A (0.38) CYP19A1EPHX1L3MBTL1CYP2D6LMNA
SCHEMBL13174662 0.85 RAB9A (0.38) CYP19A1EPHX1L3MBTL1CYP2D6LMNA
SCHEMBL14613222 0.85 RAB9A (0.38) CYP19A1EPHX1L3MBTL1CYP2D6LMNA
SCHEMBL7915891 0.84 CYP19A1 (0.46) CYP19A1EPHX1NAAACYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210155644-A1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2021-05-27 US disclosed
EP-1412154-A1 METHOD FOR IN-MOLD COATING HYDROGEL ARTICLES Johson & Johnson Vision Care Inc. (US) 2004-04-28 EP disclosed
WO-2003011551-A1 METHOD FOR IN MOLD COATING HYDROGEL ARTICLES JOHNSON & JOHNSON VISION CARE, INC. (US) 2003-02-13 WO 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-20210155644-A1 CYCLOPENTENYL PURINE DERIVATIVE OR SALT THEREOF SLC28A1, SLC20A1, NOX1 CYP19A1 3256/4885EPHX1 1453/4885NAAA 4103/4885

“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.