SCHEMBL18652189

SCHEMBL18652189

CC(C)(C)COC(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 0.80
ESR1 P03372 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
NFKB1 P19838 1/20 0.55
XDH P47989 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FUT7 Q11130 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
AKR1C1 Q04828 1/20 0.54
TYR P14679 2/20 0.49

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
SCHEMBL7773961 0.89 SERPINE1 (1.00) SERPINE1ESR1L3MBTL1KDM4ELMNA
SCHEMBL23484199 0.89 SERPINE1 (0.80) SERPINE1ESR1L3MBTL1KDM4ELMNA
SCHEMBL18650105 0.87 SERPINE1 (0.62) SERPINE1ESR1L3MBTL1KDM4ELMNA
SCHEMBL23484207 0.85 SERPINE1 (0.73) SERPINE1ESR1L3MBTL1KDM4ELMNA
SCHEMBL27255661 0.84 ESR1 (0.58) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL13286811 0.83 SERPINE1 (0.87) SERPINE1ESR1L3MBTL1KDM4ELMNA
SCHEMBL18652191 0.82 CA12 (0.67) SERPINE1ESR1L3MBTL1KDM4EPOLB
SCHEMBL21234569 0.82 SERPINE1 (0.70) SERPINE1ESR1L3MBTL1KDM4ELMNA
SCHEMBL18746620 0.82 SERPINE1 (0.70) SERPINE1ESR1L3MBTL1KDM4ELMNA
SCHEMBL24871963 0.80 SERPINE1 (0.67) SERPINE1ESR1L3MBTL1TDP1TYR

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
CN-111560180-B Composition, cured product and article 荒川化学工业株式会社 2022-07-05 CN disclosed
CN-111560180-A Composition, cured product and article 荒川化学工业株式会社 2020-08-21 CN disclosed
US-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-03-23 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-20170081346-A1 MESOSCOPIC MATERIALS COMPRISED OF ORDERED SUPERLATTICES OF MICROPOROUS METAL-ORGANIC FRAMEWORKS MCM2, YTHDF2, MCM6 SERPINE1 2260/4885ESR1 3895/4885L3MBTL1 593/4885

“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.