SCHEMBL3683087

SCHEMBL3683087

C=CCOc1ccccc1[O]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.53
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2A6 P11509 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SLC22A1 O15245 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL8637600 0.85 LIG1 (0.47) LIG1HPGDTSHRMAPK1HSD17B10
1,2-Diallyloxybenzene SCHEMBL366516 0.84 HPGD (0.60) LIG1HPGDTSHRMAPK1HSD17B10
1,2-Diallyloxybenzene SCHEMBL29768784 0.84 HPGD (0.60) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL8637602 0.81 LIG1 (0.44) LIG1HPGDTSHRMAPK1HSD17B10
1-Allyloxy-2-Ethoxybenzene SCHEMBL11755537 0.79 HPGD (0.51) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL10509104 0.79 LIG1 (0.53) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL3800333 0.78 HPGD (0.55) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL7764770 0.78 HPGD (0.55) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL5611747 0.78 HPGD (0.50) LIG1HPGDTSHRMAPK1HSD17B10
SCHEMBL6575619 0.78 HPGD (0.50) LIG1HPGDTSHRMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5339109-A None JP disclosed
JP-59216847-A None JP disclosed
JP-8133912-A None JP disclosed
US-20230405155-A1 NANOPARTICLE, PHOTOACOUSTIC CONTRAST AGENT, PHOTODYNAMIC THERAPY DRUG, AND PHOTOTHERMAL THERAPY DRUG SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-12-21 US disclosed
EP-4241846-A1 NANOPARTICLES, PHOTOACOUSTIC CONTRAST AGENT, PHOTODYNAMIC THERAPEUTIC AGENT, AND PHOTOTHERMAL THERAPEUTIC AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-09-13 EP disclosed
WO-2023101004-A1 OLEFIN RESIN, METHOD FOR MANUFACTURING SAME, AND APPLICATION FOR SAME 三井化学株式会社 2023-06-08 WO disclosed
EP-3442045-B1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR BATTERY MODULE AND SENSOR PROVIDED WITH SAME SUMITOMO CHEMICAL CO (JP) 2022-01-12 EP disclosed
WO-2021161793-A1 POLYMER, COMPOSITION, INK, AND PHOTOELECTRIC CONVERSION ELEMENT 住友化学株式会社 2021-08-19 WO disclosed
US-11063219-B2 Organic photoelectric conversion element, and solar cell module and sensor provided with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-07-13 US disclosed
US-10290809-B2 Macromolecular compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-05-14 US disclosed
WO-2006109198-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE GLYCIDYL ETHERS AND OPTICALLY ACTIVE VICINAL DIOLS FROM RACEMIC SUBSTRATES OXYRANE UK LIMITED (GB) 2006-10-19 WO disclosed
WO-2005100587-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM 2,2-DISUBSTITUTED EPOXIDES CSIR (ZA) 2005-10-27 WO disclosed
WO-2005100569-A2 METHODS FOR THE PREPARATION OF OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM STYRENE EPOXIDES USING ENANTIOSELECTIVE EPOXIDE HYDROLASES DERIVED FROM YEASTS CSIR (ZA) 2005-10-27 WO disclosed
WO-2005100578-A2 METHODS FOR OBTAINING OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM MESO-EPOXIDES CSIR (ZA) 2005-10-27 WO disclosed
EP-0611826-B1 Processes for production of optically active epoxides DAICEL CHEM (JP) 2003-05-02 EP disclosed
US-5672504-A TREATING MIXED EPOXIDE ENANTIOMORPHS WITH MICROORGANISMS TO INCREASE CONCENTRATION OF OPTICALLY PURE S-ENANTIOMORPHS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-30 US disclosed
JP-H08133912-A HERBICIDAL COMPOSITION AND WEEDING NIPPON NOHYAKU CO LTD 1996-05-28 JP disclosed
EP-0611826-A2 Processes for production of optically active epoxides DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-24 EP disclosed
JP-H05339109-A HERBICIDE COMPOSITION IDEMITSU KOSAN CO LTD 1993-12-21 JP disclosed
JP-S59216847-A POLYETHER DERIVATIVE USEFUL AS IONOPHORE AGENCY OF IND SCIENCE & TECHNOL 1984-12-06 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-20230405155-A1 NANOPARTICLE, PHOTOACOUSTIC CONTRAST AGENT, PHOTODYNAMIC THERAPY DRUG, AND PHOTOTHERMAL THERAPY DRUG CRY2, RB1, NR2E3 LIG1 3280/4885HPGD 3689/4885TSHR 331/4885
US-10290809-B2 Macromolecular compound EXOSC4, TRPC6, MRPS22 LIG1 2394/4885HPGD 4858/4885TSHR 1066/4885

“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.