SCHEMBL7017036

SCHEMBL7017036

CC(=O)Oc1ccc(/C=C/C(=O)Cl)cc1OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.66
NFKB1 P19838 1/20 0.66
ALOX5 P09917 6/20 0.56
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
JAK2 O60674 1/20 0.54
GAA P10253 1/20 0.54
VCP P55072 1/20 0.52
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
GLA P06280 1/20 0.49
RECQL P46063 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
TOP2A P11388 1/20 0.48

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
SCHEMBL5934912 1.00 JUN (0.66) JUNNFKB1ALOX5KDM4ESMN1; SMN2
SCHEMBL4121496 0.92 JUN (0.78) JUNNFKB1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4128281 0.92 JUN (0.78) JUNNFKB1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL11716698 0.88 JUN (0.55) JUNNFKB1ALOX5KDM4ESMN1; SMN2
SCHEMBL17173781 0.88 JUN (0.55) JUNNFKB1ALOX5KDM4ESMN1; SMN2
SCHEMBL11716701 0.88 JUN (0.55) JUNNFKB1ALOX5KDM4ESMN1; SMN2
SCHEMBL2219674 0.87 NFKB1 (0.85) JUNNFKB1ALOX5KDM4ESMN1; SMN2
SCHEMBL20144408 0.87 JUN (0.69) JUNNFKB1ALOX5KDM4ESMN1; SMN2
SCHEMBL2294213 0.85 JUN (0.68) JUNNFKB1ALOX5KDM4ESMN1; SMN2
SCHEMBL2294216 0.85 JUN (0.68) JUNNFKB1ALOX5KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153055-B Propenyl benzene is acylated the triazole derivatives of 1,5 diaryl 1,2,4, its preparation method and medical usage 中国药科大学 2017-10-24 CN disclosed
US-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed
EP-3130340-A1 ISOACTEOSIDE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF Sinphar Tian-li Pharmaceutical Co., Ltd. (Hangzhou) (CN) 2017-02-15 EP disclosed
US-9475752-B2 Method for manufacturing 3,4,5-tricaffeoylquinic acid FUJIFILM CORPORATION (JP) 2016-10-25 US disclosed
US-9475752-B2 Method for manufacturing 3,4,5-tricaffeoylquinic acid FUJIFILM CORPORATION (JP) 2016-10-25 US disclosed
EP-3064489-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF Ube Industries, Ltd. (JP) 2016-09-07 EP disclosed
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF UBE INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
US-20160023986-A1 METHOD FOR MANUFACTURING 3,4,5-TRICAFFEOYLQUINIC ACID FUJIFILM CORPORATION (JP) 2016-01-28 US disclosed
US-20160023986-A1 METHOD FOR MANUFACTURING 3,4,5-TRICAFFEOYLQUINIC ACID FUJIFILM CORPORATION (JP) 2016-01-28 US disclosed
US-20150291645-A1 ISOACTEOSIDE DERIVATIVE AND USE THEREOF SINPHAR PHARMACEUTICAL CO., LTD. (TW) 2015-10-15 US disclosed
US-5047555-A Antiallergens, Antiinflammatory Agents TANABE SEIYAKU CO., LTD. (JP) 1991-09-10 US disclosed
EP-0374048-A1 4-Aminophenol derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1990-06-20 EP disclosed
EP-0140327-B1 BIS-DIOXOPIPERAZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, ANTITUMOR AGENTS COMPRISING THEM AND COMPOSITIONS CONTAINING THEM ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1990-05-23 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
EP-0265185-A2 Cephalosporins, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-04-27 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
US-4650799-A Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1987-03-17 US 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
EP-0140327-A2 Bis-dioxopiperazine derivatives, process for their preparation, antitumor agents comprising them and compositions containing them ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-08 EP 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-20160023986-A1 METHOD FOR MANUFACTURING 3,4,5-TRICAFFEOYLQUINIC ACID HAAO, CUL5, ACMSD JUN 3619/4885NFKB1 593/4885ALOX5 147/4885
US-20150291645-A1 ISOACTEOSIDE DERIVATIVE AND USE THEREOF CPT1A, UGT8, HSD11B2 JUN 1508/4885NFKB1 2223/4885ALOX5 653/4885
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF SLCO1B1, SLCO2B1, SLCO1B3 JUN 2163/4885NFKB1 835/4885ALOX5 876/4885

“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.