SCHEMBL18652173

SCHEMBL18652173

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.45
LMNA P02545 4/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
FUT7 Q11130 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.41
CA3 P07451 1/20 0.41
SELL P14151 1/20 0.41
HPGD P15428 1/20 0.41
SELP P16109 1/20 0.41
FUT4 P22083 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
DPP4 P27487 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL18650132 0.88 PDK2 (0.38) SERPINE1LMNACA12CA1CA2
SCHEMBL18652138 0.83 SIRT1 (0.46) KDM4EMAPTCA12CA1CA2
SCHEMBL18650129 0.80 PDK2 (0.44) LMNAALDH1A1CA12CA1CA2
SCHEMBL17119839 0.79 LMNA (0.45) SERPINE1LMNAKDM4ETDP1ALDH1A1
SCHEMBL12377306 0.79 ESRRG (0.45) ALDH1A1HPGDSMN1; SMN2NSD2PDK2
SCHEMBL13286798 0.78 KDM4E (0.43) SERPINE1LMNAKDM4ETDP1ALDH1A1
SCHEMBL23914114 0.76 KDM4E (0.47) SERPINE1LMNAKDM4ETDP1ALDH1A1
SCHEMBL23906976 0.76 KDM4E (0.42) SERPINE1LMNAKDM4ETDP1ALDH1A1
SCHEMBL18652133 0.76 ESRRG (0.55) LMNAMAPTCA12CA1CA2
SCHEMBL23471120 0.76 KDM4E (0.43) LMNAKDM4ETDP1ALDH1A1MAPT

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-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-04-13 US 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 (2 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 2260/4885LMNA 3286/4885KDM4E 1665/4885
US-20170101429-A1 METAL ORGANIC FRAMEWORKS COMPRISING A PLURALITY OF SBUS WITH DIFFERENT METAL IONS AND/OR A PLURALITY OF ORGANIC LINKING LIGANDS WITH DIFFERENT FUNCTIONAL GROUPS EPCAM, SOD1, SBDS SERPINE1 3876/4885LMNA 4477/4885KDM4E 3868/4885

“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.