SCHEMBL4549097

SCHEMBL4549097

COCOc1ccc(C(=O)COc2cc(C)ccc2CO)c(OCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
ELANE P08246 4/20 0.43
CTSG P08311 1/20 0.43
F2 P00734 1/20 0.41
PTGER1 P34995 2/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
CAPN1 P07384 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
AKR1C3 P42330 1/20 0.39
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL1961045 0.94 MAOB (0.49) MAOBELANECTSGF2CAPN1
SCHEMBL4549084 0.91 ELANE (0.47) MAOBELANECTSGF2AKR1C3
SCHEMBL4549092 0.86 MAOB (0.39) MAOBPTGER1PTGER4PTGER3PTGER2
SCHEMBL4556784 0.78 MEN1 (0.46)
SCHEMBL9376228 0.78 PTGER1 (0.50) ELANECTSGF2PTGER1PTGER4
SCHEMBL1961888 0.78 MAOB (0.53) MAOBCAPN1MCL1SMN1; SMN2KDM4E
SCHEMBL4549086 0.77 KDM4E (0.41) MAOBSMN1; SMN2KDM4ENPC1GAA
SCHEMBL10612639 0.77 MAOB (0.55) MAOBCAPN1SMN1; SMN2NPC1RAB9A
SCHEMBL1962771 0.76 MAOB (0.64) MAOBSMN1; SMN2KDM4ENPC1GAA
SCHEMBL2687877 0.75 SMN1; SMN2 (0.55) MAOBELANEF2SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith THE UNIVERSITY OF TOLEDO 2012-05-10 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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith UGGT1, GCG, UGT8 MAOB 669/4885ELANE 2747/4885CTSG 446/4885

“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.