SCHEMBL4549092

SCHEMBL4549092

COCOc1ccc(C(=O)COc2cc(C)ccc2CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
CAPN1 P07384 2/20 0.37
PTGER1 P34995 2/20 0.36
PTGER4 P35408 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
PARP15 Q460N3 1/20 0.36
LRRK2 Q5S007 1/20 0.35
FFAR1 O14842 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MCL1 Q07820 1/20 0.34
PPARA Q07869 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
AKR1C3 P42330 1/20 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
SCHEMBL4549086 0.92 KDM4E (0.41) MAOBLRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL4549097 0.86 MAOB (0.43) MAOBCAPN1PTGER1PTGER4PTGER3
SCHEMBL4549078 0.83 RAB9A (0.50) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1961045 0.80 MAOB (0.49) MAOBCAPN1FFAR1NPC1RAB9A
SCHEMBL4549084 0.78 ELANE (0.47) MAOBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1961888 0.73 MAOB (0.53) MAOBCAPN1PARP15FFAR1NPC1
SCHEMBL10612639 0.72 MAOB (0.55) MAOBCAPN1PARP15FFAR1NPC1
SCHEMBL1962771 0.71 MAOB (0.64) MAOBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15180185 0.69 ACHE (0.42) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL8168015 0.67 MCL1 (0.64) MAOBPTGER1PTGER4PTGER3PTGER2

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 669/4885CAPN1 3336/4885PTGER1 657/4885

“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.