SCHEMBL3066754

SCHEMBL3066754

O=C1c2ccccc2C(=O)N1OCCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
ALDH1A1 P00352 7/20 0.56
MAPT P10636 3/20 0.51
CYP1A2 P05177 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C9 P11712 1/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CASP3 P42574 1/20 0.49
NR1H3 Q13133 2/20 0.47
NR1H2 P55055 1/20 0.47
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.44
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44
PARK7 Q99497 1/20 0.44

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
SCHEMBL30562288 0.89 GAA (0.61) GAAALDH1A1MAPTCYP1A2KMT2A
SCHEMBL8973558 0.88 GAA (0.59) GAAALDH1A1MAPTCYP1A2KMT2A
SCHEMBL30645031 0.88 GAA (0.59) GAAALDH1A1MAPTCYP1A2KMT2A
SCHEMBL6179513 0.86 GAA (0.57) GAAALDH1A1MAPTCYP1A2KMT2A
SCHEMBL16938605 0.86 TDP1 (0.59) GAAALDH1A1MAPTCYP1A2KMT2A
Hydrochloric Acid SCHEMBL5640958 0.85 GAA (0.56) GAAALDH1A1MAPTCYP1A2KMT2A
SCHEMBL22326350 0.84 GAA (0.88) GAAALDH1A1MAPTCYP1A2KMT2A
SCHEMBL17384166 0.82 GAA (0.53) GAAALDH1A1MAPTCYP1A2KMT2A
SCHEMBL6524461 0.81 KMT2A (0.74) GAAALDH1A1MAPTCYP1A2KMT2A
SCHEMBL29367470 0.81 KMT2A (0.74) GAAALDH1A1MAPTCYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059784-B2 Oxime ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US disclosed
US-11059784-B2 Oxime ether compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 US disclosed
US-20210147361-A1 OXIME ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
US-20210147361-A1 OXIME ETHER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-05-20 US disclosed
WO-2019032631-A1 OXIME ETHER COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-14 WO disclosed
US-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2010-09-09 US disclosed
EP-2010293-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES Firmenich S.A. (CH) 2009-01-07 EP disclosed
WO-2007085991-A2 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES FIRMENICH SA (CH) 2007-08-02 WO disclosed
WO-1997033590-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed
WO-1997033591-A1 A METHOD OF TREATING DISORDERS RELATED TO CYTOKINES IN MAMMALS NOVO NORDISK A/S (DK) 1997-09-18 WO disclosed
US-5430027-A 2-chloro-N6 -substituted adenosines, their pharmaceutical compositions, and activity in treating ischemias NOVO NORDISK A/S (DK) 1995-07-04 US disclosed
EP-0607367-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-07-27 EP disclosed
WO-1993023417-A1 NOVEL ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO 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-20100226875-A1 CONTROLLED RELEASE OF ACTIVE COMPOUNDS FROM DYNAMIC MIXTURES HPD, TRHDE, BPHL GAA 3816/4885ALDH1A1 953/4885MAPT 2502/4885
US-20210147361-A1 OXIME ETHER COMPOUNDS S1PR1, S1PR3, S1PR2 GAA 4798/4885ALDH1A1 1798/4885MAPT 4567/4885
US-11059784-B2 Oxime ether compounds S1PR1, S1PR3, S1PR2 GAA 4805/4885ALDH1A1 2003/4885MAPT 4627/4885

“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.