SCHEMBL4121496

SCHEMBL4121496

COc1cc(C=CC(=O)Cl)ccc1OC(C)=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.78
NFKB1 P19838 1/20 0.78
VCP P55072 1/20 0.63
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TOP2A P11388 2/20 0.58
NFE2L2 Q16236 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ABCG2 Q9UNQ0 2/20 0.56
FDPS P14324 1/20 0.56
APP P05067 1/20 0.52
TSHR P16473 1/20 0.51

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
SCHEMBL4128281 1.00 JUN (0.78) JUNNFKB1VCPALDH1A1KDM4E
SCHEMBL7017036 0.92 JUN (0.66) JUNNFKB1VCPALDH1A1KDM4E
SCHEMBL5934912 0.92 JUN (0.66) JUNNFKB1VCPALDH1A1KDM4E
SCHEMBL29503043 0.89 KDM4E (0.73) JUNNFKB1ALDH1A1KDM4EHPGD
SCHEMBL1589619 0.89 KDM4E (0.73) JUNNFKB1ALDH1A1KDM4EHPGD
SCHEMBL1589618 0.89 KDM4E (0.73) JUNNFKB1ALDH1A1KDM4EHPGD
SCHEMBL3207347 0.88 NFKB1 (1.00) JUNNFKB1VCPALDH1A1KDM4E
SCHEMBL3207352 0.88 NFKB1 (1.00) JUNNFKB1VCPALDH1A1KDM4E
SCHEMBL3674227 0.88 JUN (0.82) JUNNFKB1VCPALDH1A1KDM4E
SCHEMBL3674230 0.88 JUN (0.82) JUNNFKB1VCPALDH1A1KDM4E

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5148202-A None JP disclosed
CN-111153898-B Thiourea derivative and preparation method and application thereof 南华大学 2022-11-11 CN disclosed
CN-111153898-A Thiourea derivative and preparation method and application thereof 南华大学 2020-05-15 CN disclosed
US-9067908-B2 Polyphenolic bioprecursors RHODIA CHIMIE (FR) 2015-06-30 US disclosed
WO-2013130020-A1 QUERCETIN DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITION AND USE ÚSTAV EXPERIMENTÁLNEJ FARMAKOLÓGIE A TOXIKOLÓGIE SAV (SK) 2013-09-06 WO disclosed
US-7629368-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2009-12-08 US disclosed
US-20090215881-A1 Polyphenolic Bioprecursors CHIMIE, Rhodia Chime (FR) 2009-08-27 US disclosed
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 US disclosed
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 US disclosed
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2008-08-14 US disclosed
EP-0700908-A1 1-Arylpyrimidine derivatives and pharmaceutical use thereof JAPAN ENERGY CORPORATION (JP) 1996-03-13 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
JP-H05148202-A NEW COMPOUND AND ITS USAGE AS MEDICAL DRUG TSUMURA & CO 1993-06-15 JP disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP disclosed
EP-0174064-B1 COMPOSITIONS AND COMPOUNDS FOR THE TREATMENT OF PROSTATIC ADENOMA INVERNI DELLA BEFFA S.P.A. (IT) 1989-12-06 EP disclosed
US-4709076-A UROGENITAL DISORDERS INVERNI DELLA BEFFA SPA (IT) 1987-11-24 US disclosed
EP-0227431-A1 Heterocyclic amides BEECHAM GROUP PLC (GB) 1987-07-01 EP disclosed
EP-0174064-A2 Compositions and compounds for the treatment of prostatic adenoma INVERNI DELLA BEFFA S.P.A. (IT) 1986-03-12 EP disclosed
US-4038414-A ANTIARRHYTHMIA AGENTS CIBA-GEIGY CORPORATION (US) 1977-07-26 US disclosed
US-4014920-A N-cinnamylcarbamic acid esters CIBA-GEIGY CORPORATION (US) 1977-03-29 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-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR0B1, NOX1 JUN 4254/4885NFKB1 326/4885VCP 3674/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 JUN 4082/4885NFKB1 458/4885VCP 4195/4885
US-20090215881-A1 Polyphenolic Bioprecursors PPARG, PPARA, FABP4 JUN 1057/4885NFKB1 435/4885VCP 4641/4885

“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.