SCHEMBL865876

SCHEMBL865876

O=C(Oc1ccc(/C=C/C(=O)C(O)C(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(O)C(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)C(F)(F)F)cc3)cc2)cc1)c1ccc(OCCCC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
MAPT P10636 10/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.35
PTGS2 P35354 2/20 0.35

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
SCHEMBL866979 0.94 MAOB (0.42) MAOBMAPTLMNAALDH1A1HTT
SCHEMBL865877 0.83 MAOB (0.38) MAOBMAPTLMNAALDH1A1HTT
SCHEMBL865875 0.83 MAOB (0.38) MAOBMAPTLMNAALDH1A1HTT
SCHEMBL866583 0.82 PPARA (0.36) MAOBMAPTLMNAKDM4E
SCHEMBL865683 0.82 PPARA (0.36) MAOBMAPTLMNAKDM4E
SCHEMBL867831 0.81 MAOB (0.45) MAOBMAPTLMNAALDH1A1HTT
SCHEMBL679941 0.81 ALDH1A1 (0.41) MAOBMAPTLMNAALDH1A1HTT
SCHEMBL866703 0.80 PPARA (0.38) MAOBMAPTLMNAKDM4E
SCHEMBL866886 0.80 PPARA (0.38) MAOBMAPTLMNAKDM4E
SCHEMBL679346 0.79 MAOB (0.41) MAOBMAPTLMNAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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 286/4885MAPT 295/4885LMNA 2057/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD MAOB 286/4885MAPT 295/4885LMNA 2057/4885
US-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 MAOB 1140/4885MAPT 159/4885LMNA 771/4885

“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.