SCHEMBL3798396

SCHEMBL3798396

C=CCOc1ccccc1C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.71
LIG1 P18858 1/20 0.67
CASP1 P29466 1/20 0.54
CYP3A4 P08684 2/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
NR1I2 O75469 1/20 0.54
LMNA P02545 1/20 0.54
CHRM2 P08172 1/20 0.54
ADRA2A P08913 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PARP1 P09874 1/20 0.54
CTNNB1 P35222 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49

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
SCHEMBL669636 0.86 LIG1 (0.67) KDM4ELIG1CASP1CYP3A4MEN1
SCHEMBL1131998 0.86 LIG1 (0.67) KDM4ELIG1CASP1CYP3A4MEN1
SCHEMBL1426602 0.86 LIG1 (0.67) KDM4ELIG1CASP1CYP3A4MEN1
SCHEMBL7068224 0.86 LIG1 (0.67) KDM4ELIG1CASP1CYP3A4MEN1
SCHEMBL18259145 0.86 LIG1 (0.67) KDM4ELIG1CASP1CYP3A4MEN1
SCHEMBL1889645 0.86 LIG1 (0.67) KDM4ELIG1CASP1CYP3A4MEN1
SCHEMBL10542058 0.86 LIG1 (0.67) KDM4ELIG1CASP1CYP3A4MEN1
Zinc Ion SCHEMBL2788244 0.86 LIG1 (0.67) KDM4ELIG1CASP1CYP3A4MEN1
SCHEMBL9696302 0.86 LIG1 (0.71) KDM4ELIG1CYP3A4MEN1KMT2A
SCHEMBL3435885 0.85 KDM4E (0.54) KDM4ELIG1CASP1CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010017328-A2 CYCLODEXTRIN CONJUGATES RGO BIOSCIENCES LLC (US) 2010-02-11 WO claimed
US-6720124-B2 USED IN CONNECTION WITH ORGANIC DYES HAVING EXCELLENT IMAGE FASTNESS, INK, COLOR FILTERS, HOLOGRAMS, PROOFS, SEALANTS, ADHESIVES, PLANOGRAPHY, RESIN LETTERPRESS, PHOTORESISTS AND THE LIKE FUJI PHOTO FILM CO., LTD. (JP) 2004-04-13 US claimed
US-20030073025-A1 Recording material FUJI PHOTO FILM CO., LTD. 2003-04-17 US claimed
JP-61172153-A None JP disclosed
JP-61160763-A None JP disclosed
JP-4282644-A None JP disclosed
EP-4340807-A1 HAIR COLOR COMPOSITIONS FOR MITIGATING COLOR LOSS Lubrizol Advanced Materials, Inc. (US) 2024-03-27 EP disclosed
US-11116710-B2 Antimicrobial compositions SYMRISE AG (DE) 2021-09-14 US disclosed
EP-3773458-A1 HAIR MODIFICATION COMPOSITION AND METHOD THEREFOR Lubrizol Advanced Materials, Inc. (US) 2021-02-17 EP disclosed
WO-2019200027-A1 HAIR MODIFICATION COMPOSITION AND METHOD THEREFOR LUBRIZOL ADVANCED MATERIALS, INC. (US) 2019-10-17 WO disclosed
US-20190282478-A1 ANTIMICROBIAL COMPOSITIONS SYMRISE AG (DE) 2019-09-19 US disclosed
US-20030073025-A1 Recording material FUJI PHOTO FILM CO., LTD. 2003-04-17 US disclosed
EP-1262828-A1 Recording material FUJI PHOTO FILM CO., LTD. (JP) 2002-12-04 EP disclosed
JP-H04282644-A IMAGE FORMING METHOD RICOH CO LTD 1992-10-07 JP disclosed
US-5106843-A Treatment of migraine, emesis, anxiety, gastrointestinal disorders, psychological disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
EP-0323077-B1 HETEROCYCLIC COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1991-09-11 EP disclosed
US-4983600-A Antiemetics, antianxiety agents, gastrointestinal disorders JOHN WYETH & BROTHER LIMITED (GB) 1991-01-08 US disclosed
EP-0323077-A1 Heterocyclic compounds JOHN WYETH & BROTHER LIMITED (GB) 1989-07-05 EP disclosed
JP-S61172153-A TONER FOR DEVELOPING ELECTROSTATIC CHARGE IMAGE CANON INC 1986-08-02 JP disclosed
JP-S61160763-A ELECTROSTATIC CHARGE APPLYING MEMBER FOR DEVELOPING ELECTROSTATIC CHARGE IMAGE CANON INC 1986-07-21 JP 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 (2 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-20190282478-A1 ANTIMICROBIAL COMPOSITIONS MPO, NHERF1, NOX1 KDM4E 2409/4885LIG1 3966/4885CASP1 827/4885
US-11116710-B2 Antimicrobial compositions MPO, NHERF1, NOX1 KDM4E 2598/4885LIG1 3988/4885CASP1 824/4885

“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.