Sugi Predict

Sugi Predict / Compounds / SCHEMBL865875

SCHEMBL865875

SCHEMBL865875

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.38
▸ MAPT P10636 9/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KMT2A Q03164 6/20 0.36
▸ MEN1 O00255 5/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ PKM P14618 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
SCHEMBL865877 1.00 MAOB (0.38) MAOBMAPTLMNAALDH1A1HTT
SCHEMBL866978 0.94 MAOB (0.39) MAOBMAPTLMNAALDH1A1HTT
SCHEMBL866980 0.94 MAOB (0.39) MAOBMAPTLMNAALDH1A1HTT
SCHEMBL867832 0.83 MAOB (0.42) MAOBMAPTLMNAALDH1A1HTT
SCHEMBL867830 0.83 MAOB (0.42) MAOBMAPTLMNAALDH1A1HTT
SCHEMBL865684 0.83 PPARA (0.33) MAOBMAPTLMNAALDH1A1KDM4E
SCHEMBL865682 0.83 PPARA (0.33) MAOBMAPTLMNAALDH1A1KDM4E
SCHEMBL866582 0.83 PPARA (0.33) MAOBMAPTLMNAALDH1A1KDM4E
SCHEMBL866584 0.83 PPARA (0.33) MAOBMAPTLMNAALDH1A1KDM4E
SCHEMBL865876 0.83 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 — — US disclosed
EP-1966119-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-10-19 — — EP disclosed
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 286/4885MAPT 295/4885LMNA 2057/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD MAOB 286/4885MAPT 295/4885LMNA 2057/4885
US-20130004679-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.