SCHEMBL4653348

SCHEMBL4653348

COc1cc(/C=C(/C(=O)O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
ALDH1A1 P00352 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
AKR1C3 P42330 1/20 0.50
SRD5A2 P31213 1/20 0.50
CYP19A1 P11511 1/20 0.49
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MYOC Q99972 1/20 0.45
NQO2 P16083 1/20 0.44
PPARG P37231 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
SCHEMBL4653351 1.00 MEN1 (0.53) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL27838696 0.83 MEN1 (0.64) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL4890340 0.83 ALDH1A1 (0.54) MEN1KMT2AALDH1A1AKR1C3KDM4E
SCHEMBL4890342 0.83 ALDH1A1 (0.54) MEN1KMT2AALDH1A1AKR1C3KDM4E
SCHEMBL14087904 0.82 AKR1C3 (0.75) PTGS2AKR1C3
SCHEMBL14087892 0.80 MTNR1A (0.59) MEN1KMT2APTGS2ALDH1A1AKR1C3
SCHEMBL19436967 0.79 TLR9 (0.59) MEN1KMT2AALDH1A1MAOAMAOB
SCHEMBL14087896 0.79 MEN1 (0.53) MEN1KMT2AALDH1A1AKR1C3MAPT
SCHEMBL19436965 0.79 TLR9 (0.59) MEN1KMT2AALDH1A1MAOAMAOB
SCHEMBL3802163 0.78 MEN1 (0.61) MEN1KMT2APTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625207-A4 COMPOUNDS FOR TREATMENT OF INFLAMMATION, DIABETES AND RELATED DISORDERS THERACOS INC (US) 2008-11-12 EP disclosed
US-20080188654-A1 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-08-07 US disclosed
US-20080188654-A1 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-08-07 US disclosed
US-20080108825-A1 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-05-08 US disclosed
US-20080108825-A1 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-05-08 US disclosed
US-20080103302-A1 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-05-01 US disclosed
US-20080103302-A1 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-05-01 US disclosed
US-7323496-B2 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-01-29 US disclosed
US-7323496-B2 Compounds for treatment of inflammation, diabetes and related disorders THERACOS, INC. (US) 2008-01-29 US disclosed
US-20070259961-A9 COMPOUNDS FOR TREATMENT OF INFLAMMATION, DIABETES AND RELATED DISORDERS NEOGI PARTHA 2007-11-08 US disclosed
US-20070259961-A9 COMPOUNDS FOR TREATMENT OF INFLAMMATION, DIABETES AND RELATED DISORDERS NEOGI PARTHA 2007-11-08 US disclosed
US-20070259961-A9 COMPOUNDS FOR TREATMENT OF INFLAMMATION, DIABETES AND RELATED DISORDERS NEOGI PARTHA 2007-11-08 US disclosed
EP-1625207-A2 COMPOUNDS FOR TREATMENT OF INFLAMMATION, DIABETES AND RELATED DISORDERS Theracos, Inc. (US) 2006-02-15 EP disclosed
WO-2004101752-A2 COMPOUNDS FOR TREATMENT OF INFLAMMATION, DIABETES AND RELATED DISORDERS THERACOS, INC. (US) 2004-11-25 WO disclosed
US-20040097593-A1 Compounds for treatment of inflammation, diabetes and related disorders SEED, BRIAN 2004-05-20 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 (5 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-20070259961-A9 COMPOUNDS FOR TREATMENT OF INFLAMMATION, DIABETES AND RELATED DISORDERS CPS1, ABAT, IL6 MEN1 3284/4885KMT2A 1903/4885PTGS1 151/4885
US-20080103302-A1 Compounds for treatment of inflammation, diabetes and related disorders CPS1, ABAT, IL6 MEN1 3293/4885KMT2A 1862/4885PTGS1 149/4885
US-20080108825-A1 Compounds for treatment of inflammation, diabetes and related disorders CPS1, ABAT, IL6 MEN1 3293/4885KMT2A 1862/4885PTGS1 149/4885
US-20040097593-A1 Compounds for treatment of inflammation, diabetes and related disorders CPS1, ABAT, IL6 MEN1 3284/4885KMT2A 1903/4885PTGS1 151/4885
US-20080188654-A1 Compounds for treatment of inflammation, diabetes and related disorders CPS1, ABAT, IL6 MEN1 3293/4885KMT2A 1862/4885PTGS1 149/4885

“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.