Sugi Predict

Sugi Predict / Compounds / SCHEMBL866980

SCHEMBL866980

SCHEMBL866980

O=C(C=Cc1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1)CC(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(O)(O)C(=O)C=Cc1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 7/20 0.37
▸ KMT2A Q03164 7/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAOA P21397 1/20 0.33

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
SCHEMBL866978 1.00 MAOB (0.39) MAOBKDM4ETP53MAPTKMT2A
SCHEMBL865875 0.94 MAOB (0.38) MAOBKDM4ETP53MAPTKMT2A
SCHEMBL865877 0.94 MAOB (0.38) MAOBKDM4ETP53MAPTKMT2A
SCHEMBL867830 0.89 MAOB (0.42) MAOBKDM4ETP53MAPTKMT2A
SCHEMBL867832 0.89 MAOB (0.42) MAOBKDM4ETP53MAPTKMT2A
SCHEMBL866979 0.82 MAOB (0.42) MAOBKDM4ETP53MAPTKMT2A
SCHEMBL866347 0.82 PPARA (0.34) MAOB
SCHEMBL866959 0.82 PPARA (0.34) MAOB
SCHEMBL866961 0.82 PPARA (0.34) MAOB
SCHEMBL866345 0.82 PPARA (0.34) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557922-B2 Photocrosslinkable materials ROLIC AG (CH) 2013-10-15 — — US disclosed
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2013-01-03 — — US disclosed
US-8329823-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-12-11 — — US disclosed
US-8173749-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-05-08 — — US disclosed
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2012-03-29 — — US disclosed
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 — — US disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 — — 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 (4 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-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD MAOB 286/4885KDM4E 1831/4885TP53 4305/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD MAOB 286/4885KDM4E 1831/4885TP53 4305/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD MAOB 286/4885KDM4E 1831/4885TP53 4305/4885
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 MAOB 1140/4885KDM4E 2018/4885TP53 3858/4885

“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.